SYMBOL INDEX (1265 symbols across 374 files) FILE: include/AtomCenteredPseudoWavefunctionSpline.h function namespace (line 37) | namespace dftfe FILE: include/AtomCenteredSphericalFunctionBase.h function namespace (line 27) | namespace dftfe FILE: include/AtomCenteredSphericalFunctionBessel.h function namespace (line 30) | namespace dftfe FILE: include/AtomCenteredSphericalFunctionContainer.h function namespace (line 34) | namespace dftfe FILE: include/AtomCenteredSphericalFunctionCoreDensitySpline.h function namespace (line 37) | namespace dftfe FILE: include/AtomCenteredSphericalFunctionGaussian.h function namespace (line 30) | namespace dftfe FILE: include/AtomCenteredSphericalFunctionLocalPotentialSpline.h function namespace (line 37) | namespace dftfe FILE: include/AtomCenteredSphericalFunctionProjectorSpline.h function namespace (line 37) | namespace dftfe FILE: include/AtomCenteredSphericalFunctionSinc.h function namespace (line 30) | namespace dftfe FILE: include/AtomCenteredSphericalFunctionSpline.h function namespace (line 37) | namespace dftfe FILE: include/AtomCenteredSphericalFunctionValenceDensitySpline.h function namespace (line 37) | namespace dftfe FILE: include/AtomCenteredSphericalFunctionZOverR.h function namespace (line 33) | namespace dftfe FILE: include/AtomPseudoWavefunctions.h function namespace (line 43) | namespace dftfe FILE: include/AtomicBasis.h function class (line 30) | class AtomicBasis FILE: include/AtomicBasisData.h function namespace (line 12) | namespace dftfe FILE: include/AtomicCenteredNonLocalOperator.h type class (line 47) | enum class type class (line 54) | enum class FILE: include/AtomicCenteredNonLocalOperatorKernelsDevice.h function namespace (line 28) | namespace dftfe FILE: include/AuxDensityMatrix.h type class (line 18) | enum class function WfcDescriptorDataAttributes (line 32) | enum class WfcDescriptorDataAttributes FILE: include/AuxDensityMatrixFE.h function namespace (line 12) | namespace dftfe FILE: include/BFGSNonLinearSolver.h function namespace (line 24) | namespace dftfe FILE: include/BLASWrapper.h function tensorOpDataType (line 723) | enum class tensorOpDataType FILE: include/Cell.h function namespace (line 33) | namespace dftfe FILE: include/CompositeData.h function namespace (line 26) | namespace dftfe FILE: include/DataTypeOverloads.h function namespace (line 23) | namespace dftfe FILE: include/DeviceAPICalls.h function namespace (line 10) | namespace dftfe FILE: include/DeviceDataTypeOverloads.cu.h function namespace (line 26) | namespace dftfe FILE: include/DeviceDataTypeOverloads.hip.h function namespace (line 26) | namespace dftfe FILE: include/DeviceDataTypeOverloads.sycl.h function namespace (line 25) | namespace dftfe FILE: include/DeviceKernelLauncherHelpers.h function namespace (line 25) | namespace dftfe function namespace (line 38) | namespace dftfe function namespace (line 51) | namespace dftfe FILE: include/DeviceTypeConfig.cu.h function namespace (line 22) | namespace dftfe FILE: include/DeviceTypeConfig.hip.h function namespace (line 23) | namespace dftfe FILE: include/DeviceTypeConfig.sycl.h function namespace (line 28) | namespace dftfe FILE: include/DeviceTypeConfigHalfPrec.cu.h function namespace (line 22) | namespace dftfe function __device_bfloat162 (line 121) | inline __device_bfloat162 * function __device_bfloat162 (line 127) | inline const __device_bfloat162 * FILE: include/DeviceTypeConfigHalfPrec.hip.h function namespace (line 23) | namespace dftfe function __device_bfloat162 (line 124) | inline __device_bfloat162 * function __device_bfloat162 (line 130) | inline const __device_bfloat162 * FILE: include/DeviceTypeConfigHalfPrec.sycl.h function namespace (line 27) | namespace utils FILE: include/ExcDFTPlusU.h function namespace (line 25) | namespace dftfe FILE: include/ExcSSDFunctionalBaseClass.h type class (line 27) | enum class type class (line 44) | enum class type class (line 57) | enum class FILE: include/ExcSSDFunctionalBaseClass.t.cc type dftfe (line 22) | namespace dftfe function ExcFamilyType (line 53) | ExcFamilyType function densityFamilyType (line 60) | densityFamilyType FILE: include/Exceptions.h function namespace (line 124) | namespace dftfe FILE: include/Exceptions.t.cc type dftfe (line 2) | namespace dftfe type utils (line 4) | namespace utils function throwException (line 7) | void FILE: include/FEBasisOperations.h function namespace (line 29) | namespace basis function class (line 86) | class FEBasisOperations FILE: include/FEBasisOperationsKernelsInternal.h function namespace (line 29) | namespace dftfe FILE: include/FECell.h function namespace (line 31) | namespace dftfe FILE: include/FiniteDifference.h function namespace (line 7) | namespace dftfe FILE: include/GaussianBasis.h function namespace (line 31) | namespace dftfe FILE: include/InterpolateCellWiseDataToPoints.h function namespace (line 34) | namespace dftfe FILE: include/InterpolateFromCellToLocalPoints.h function namespace (line 32) | namespace dftfe FILE: include/KohnShamDFTBaseOperator.h function namespace (line 32) | namespace dftfe FILE: include/KohnShamDFTOperatorKernels.h function namespace (line 29) | namespace dftfe FILE: include/KohnShamDFTStandardEigenOperator.h function namespace (line 32) | namespace dftfe FILE: include/LBFGSNonLinearSolver.h function namespace (line 24) | namespace dftfe FILE: include/MDIEngine.h function namespace (line 27) | namespace dftfe FILE: include/MPICommunicatorP2P.h function namespace (line 45) | namespace mpi FILE: include/MPICommunicatorP2PKernels.h function namespace (line 33) | namespace dftfe FILE: include/MPIPatternP2P.t.cc type dftfe (line 34) | namespace dftfe type utils (line 36) | namespace utils type mpi (line 38) | namespace mpi function getAllOwnedRanges (line 42) | void function getGhostProcIdToLocalGhostIndicesMap (line 72) | void function checkContiguity (line 142) | bool type RangeMetaData (line 158) | struct RangeMetaData function compareRangeMetaData (line 165) | bool function getOverlappingRangeIds (line 173) | std::vector function MPI_Comm (line 834) | const MPI_Comm & FILE: include/MPIRequestersBase.h function namespace (line 26) | namespace dftfe FILE: include/MPIRequestersNBX.h function namespace (line 31) | namespace dftfe FILE: include/MPITags.h function namespace (line 31) | namespace dftfe FILE: include/MPIWriteOnFile.h function namespace (line 27) | namespace dftfe FILE: include/MapPointsToCells.h function namespace (line 34) | namespace dftfe FILE: include/MatrixFree.h function namespace (line 37) | namespace dftfe FILE: include/MatrixFreeDevice.h function namespace (line 33) | namespace dftfe FILE: include/MatrixFreeWrapper.h function namespace (line 31) | namespace dftfe FILE: include/MemoryManager.h function namespace (line 8) | namespace dftfe FILE: include/MemorySpaceType.h function namespace (line 25) | namespace dftfe FILE: include/MemoryStorage.h type ValueType (line 51) | typedef ValueType *pointer; type ValueType (line 52) | typedef ValueType &reference; type ValueType (line 53) | typedef const ValueType &const_reference; type ValueType (line 54) | typedef ValueType *iterator; type ValueType (line 55) | typedef const ValueType *const_iterator; FILE: include/MemoryStorage.t.cc type dftfe (line 25) | namespace dftfe type utils (line 27) | namespace utils function ValueType (line 226) | ValueType * function ValueType (line 232) | const ValueType * function memoryStorageFromSTL (line 437) | MemoryStorage FILE: include/MemoryTransfer.h function namespace (line 27) | namespace dftfe FILE: include/MemoryTransfer.t.cc type dftfe (line 26) | namespace dftfe type utils (line 28) | namespace utils FILE: include/MemoryTransferKernelsDevice.h function namespace (line 27) | namespace dftfe FILE: include/MultiVector.t.cc type dftfe (line 24) | namespace dftfe type linearAlgebra (line 26) | namespace linearAlgebra function ValueType (line 505) | ValueType * function ValueType (line 512) | const ValueType * function createMultiVectorFromDealiiPartitioner (line 820) | void FILE: include/MultiVectorCGSolver.h function namespace (line 20) | namespace dftfe FILE: include/MultiVectorLinearSolverProblem.h function namespace (line 24) | namespace dftfe FILE: include/MultiVectorMinResSolver.h function namespace (line 19) | namespace dftfe FILE: include/MultiVectorPoissonLinearSolverProblem.h function namespace (line 25) | namespace dftfe FILE: include/NNLDA.h function namespace (line 7) | namespace dftfe FILE: include/NNLLMGGA.h function namespace (line 7) | namespace dftfe FILE: include/NodalData.h function namespace (line 12) | namespace dftfe FILE: include/OptimizedIndexSet.h function namespace (line 27) | namespace dftfe FILE: include/OptimizedIndexSet.t.cc type dftfe (line 28) | namespace dftfe type utils (line 30) | namespace utils FILE: include/PeriodicTable.h function namespace (line 28) | namespace dftfe FILE: include/QuadDataCompositeWrite.h function namespace (line 9) | namespace dftfe FILE: include/RTreeBox.h function namespace (line 35) | namespace dftfe FILE: include/RTreePoint.h function namespace (line 36) | namespace dftfe FILE: include/SlaterBasis.h function namespace (line 28) | namespace dftfe FILE: include/SphericalFunctionUtil.h function namespace (line 25) | namespace dftfe FILE: include/StringOperations.h function namespace (line 28) | namespace dftfe FILE: include/TransferBetweenMeshesIncompatiblePartitioning.h function namespace (line 29) | namespace dftfe FILE: include/TypeConfig.h function namespace (line 4) | namespace dftfe FILE: include/atomCenteredPostProcessing.h function namespace (line 26) | namespace dftfe FILE: include/cgPRPNonLinearSolver.h function namespace (line 24) | namespace dftfe FILE: include/chebyshevOrthogonalizedSubspaceIterationSolver.h function namespace (line 29) | namespace dftfe FILE: include/chebyshevOrthogonalizedSubspaceIterationSolverDevice.h function namespace (line 30) | namespace dftfe FILE: include/computeAuxProjectedDensityMatrixFromPSI.h function namespace (line 26) | namespace dftfe FILE: include/configurationalForce.h function namespace (line 28) | namespace dftfe FILE: include/configurationalForceKernels.h function namespace (line 30) | namespace dftfe FILE: include/constants.h function namespace (line 24) | namespace dftfe FILE: include/constraintMatrixInfo.h function namespace (line 26) | namespace dftfe FILE: include/constraintMatrixInfoDeviceKernels.h function namespace (line 8) | namespace dftfe FILE: include/dealiiLinearSolver.h function namespace (line 24) | namespace dftfe FILE: include/dealiiLinearSolverProblem.h function namespace (line 23) | namespace dftfe FILE: include/densityCalculator.h function namespace (line 25) | namespace dftfe FILE: include/densityCalculatorDeviceKernels.h function namespace (line 29) | namespace dftfe FILE: include/densityFirstOrderResponseCalculator.h function namespace (line 29) | namespace dftfe FILE: include/deviceDirectCCLWrapper.h function namespace (line 35) | namespace dftfe FILE: include/deviceKernelsGeneric.h function namespace (line 26) | namespace dftfe FILE: include/dft.h function namespace (line 77) | namespace dftfe FILE: include/dftBase.h function namespace (line 26) | namespace dftfe FILE: include/dftParameters.h function namespace (line 27) | namespace dftfe FILE: include/dftUtils.h function namespace (line 25) | namespace dftfe FILE: include/dftd.h function namespace (line 29) | namespace dftfe FILE: include/dftfeDataTypes.h function namespace (line 31) | namespace dftfe FILE: include/dftfeWrapper.h function namespace (line 26) | namespace dftfe FILE: include/eigenSolver.h function class (line 33) | class eigenSolverClass FILE: include/elpaScalaManager.h function class (line 37) | class elpaScalaManager FILE: include/energyCalculator.h function namespace (line 27) | namespace dftfe FILE: include/eshelbyTensor.h function namespace (line 24) | namespace dftfe FILE: include/eshelbyTensorSpinPolarized.h function namespace (line 22) | namespace dftfe FILE: include/excDensityGGAClass.h function namespace (line 22) | namespace dftfe FILE: include/excDensityLDAClass.h function namespace (line 23) | namespace dftfe FILE: include/excDensityLLMGGAClass.h function namespace (line 10) | namespace dftfe FILE: include/excDensityPositivityCheckTypes.h function namespace (line 3) | namespace dftfe FILE: include/excManager.h function namespace (line 24) | namespace dftfe FILE: include/excManagerKernels.h function namespace (line 29) | namespace dftfe FILE: include/excTauMGGAClass.h function namespace (line 7) | namespace dftfe FILE: include/exchangeCorrelationFunctionalEvaluator.h function namespace (line 23) | namespace dftfe FILE: include/expConfiningPotential.h function namespace (line 26) | namespace dftfe FILE: include/feevaluationWrapper.h function namespace (line 24) | namespace dftfe FILE: include/fileReaders.h function namespace (line 30) | namespace dftfe FILE: include/forceWfcContractions.h function namespace (line 29) | namespace dftfe FILE: include/forceWfcContractionsDeviceKernels.h function namespace (line 22) | namespace dftfe FILE: include/functionalTest.h function namespace (line 26) | namespace functionalTest FILE: include/geoOptCell.h function namespace (line 25) | namespace dftfe FILE: include/geoOptIon.h function namespace (line 25) | namespace dftfe FILE: include/geometryOptimizationClass.h function namespace (line 29) | namespace dftfe FILE: include/groupSymmetry.h function namespace (line 29) | namespace dftfe FILE: include/headers.h function namespace (line 89) | namespace dftfe FILE: include/hubbardClass.h type hubbardSpecies (line 37) | struct hubbardSpecies function HubbardOccFieldType (line 55) | enum class HubbardOccFieldType FILE: include/kerkerSolverProblem.h function namespace (line 25) | namespace dftfe FILE: include/kerkerSolverProblemDevice.h function namespace (line 35) | namespace dftfe FILE: include/kerkerSolverProblemWrapper.h function namespace (line 28) | namespace dftfe FILE: include/lapack_support.h function namespace (line 22) | namespace dftfe FILE: include/linearAlgebraOperations.h function namespace (line 28) | namespace dftfe FILE: include/linearAlgebraOperationsCPU.h function namespace (line 28) | namespace dftfe FILE: include/linearAlgebraOperationsDevice.h function namespace (line 30) | namespace dftfe FILE: include/linearAlgebraOperationsDeviceKernels.h function namespace (line 6) | namespace dftfe FILE: include/linearAlgebraOperationsInternal.h function namespace (line 29) | namespace dftfe FILE: include/linearSolver.h function namespace (line 24) | namespace dftfe FILE: include/linearSolverCGDevice.h function namespace (line 27) | namespace dftfe FILE: include/linearSolverCGDeviceKernels.h function namespace (line 8) | namespace dftfe FILE: include/linearSolverDevice.h function namespace (line 25) | namespace dftfe FILE: include/linearSolverProblemDevice.h function namespace (line 24) | namespace dftfe FILE: include/meshGenUtils.h function namespace (line 26) | namespace dftfe FILE: include/meshMovement.h function namespace (line 25) | namespace dftfe FILE: include/meshMovementAffineTransform.h function namespace (line 22) | namespace dftfe FILE: include/meshMovementGaussian.h function namespace (line 22) | namespace dftfe FILE: include/mixingClass.h function mixingVariable (line 31) | enum class mixingVariable FILE: include/molecularDynamicsClass.h function namespace (line 30) | namespace dftfe FILE: include/nonLinearSolver.h function namespace (line 26) | namespace dftfe FILE: include/nonlinearSolverFunction.h function namespace (line 26) | namespace dftfe FILE: include/nonlinearSolverProblem.h function namespace (line 22) | namespace dftfe FILE: include/nudgedElasticBandClass.h function namespace (line 36) | namespace dftfe FILE: include/oncvClass.h function namespace (line 24) | namespace dftfe FILE: include/operator.h function namespace (line 34) | namespace dftfe FILE: include/poissonSolverProblem.h function namespace (line 26) | namespace dftfe FILE: include/poissonSolverProblemDevice.h function namespace (line 37) | namespace dftfe FILE: include/poissonSolverProblemWrapper.h function namespace (line 28) | namespace dftfe FILE: include/process_grid.h function class (line 52) | class ProcessGrid FILE: include/pseudoConverter.h function namespace (line 24) | namespace dftfe FILE: include/pseudoUtils.h function namespace (line 30) | namespace dftfe FILE: include/pseudopotentialBaseClass.h function CouplingType (line 47) | enum class CouplingType FILE: include/runParameters.h function namespace (line 29) | namespace dftfe FILE: include/scalapack.templates.h function namespace (line 42) | namespace dftfe FILE: include/scalapackWrapper.h function size_type (line 455) | size_type FILE: include/solveVselfInBinsDevice.h function namespace (line 25) | namespace dftfe FILE: include/solveVselfInBinsDeviceKernels.h function namespace (line 7) | namespace dftfe FILE: include/sphericalHarmonicUtils.h function namespace (line 22) | namespace dftfe FILE: include/triangulationManager.h function namespace (line 23) | namespace dftfe FILE: include/vectorUtilities.h function namespace (line 26) | namespace dftfe FILE: include/vselfBinsManager.h function namespace (line 26) | namespace dftfe FILE: postProcessing/postprocessModules.py class Plotters (line 24) | class Plotters: method __init__ (line 25) | def __init__(self, filesPath = None, bandsDatFile = None, kptsFile = N... method createPoscar (line 113) | def createPoscar(self): method createKpts (line 190) | def createKpts(self, forDOS = False): method createProcar (line 201) | def createProcar(self): method createOutcar (line 244) | def createOutcar(self): method createVasprun (line 248) | def createVasprun(self): method plotBandStr (line 582) | def plotBandStr(self): method plotDos (line 640) | def plotDos(self): FILE: pseudoConverters/pseudoPotentialToDftfeConverter.cc type dftfe (line 33) | namespace dftfe type pseudoUtils (line 35) | namespace pseudoUtils function XmlTagReaderMain (line 37) | std::vector function XmlTagReaderAttr (line 83) | void function xmlNodeChildCount (line 132) | dftfe::Int function xmltoSummaryFile (line 164) | void function xmltoProjectorFile (line 383) | void function xmltoLocalPotential (line 527) | void function xmltoDenomFile (line 558) | void function xmltoCoreDensityFile (line 587) | void function xmltoDensityFile (line 639) | void function xmltoOrbitalFile (line 676) | void function pseudoPotentialToDftfeParser (line 750) | dftfe::Int FILE: src/TransferBetweenMeshes/InterpolateCellWiseDataToPoints.cpp type dftfe (line 44) | namespace dftfe class InterpolateCellWiseDataToPoints< dftfe::dataTypes::number, dftfe::utils::MemorySpace::HOST> (line 576) | class InterpolateCellWiseDataToPoints< class InterpolateCellWiseDataToPoints< dftfe::dataTypes::number, dftfe::utils::MemorySpace::DEVICE> (line 581) | class InterpolateCellWiseDataToPoints< FILE: src/TransferBetweenMeshes/InterpolateFromCellToLocalPoints.cpp type dftfe (line 23) | namespace dftfe class InterpolateFromCellToLocalPoints< dftfe::utils::MemorySpace::HOST> (line 147) | class InterpolateFromCellToLocalPoints< class InterpolateFromCellToLocalPoints< dftfe::utils::MemorySpace::DEVICE> (line 153) | class InterpolateFromCellToLocalPoints< FILE: src/TransferBetweenMeshes/MapPointsToCells.t.cc type dftfe (line 3) | namespace dftfe type utils (line 5) | namespace utils function appendToVec (line 10) | void function getLocallyOwnedRange (line 16) | std::pair function getProcBoundingBox (line 44) | void function getAllProcsBoundingBoxes (line 81) | void function pointsToCell (line 112) | void function getTargetPointsToSend (line 169) | void function receivePoints (line 231) | void FILE: src/TransferBetweenMeshes/TransferBetweenMeshesIncompatiblePartitioning.cpp type dftfe (line 26) | namespace dftfe class TransferDataBetweenMeshesIncompatiblePartitioning< dftfe::utils::MemorySpace::HOST> (line 348) | class TransferDataBetweenMeshesIncompatiblePartitioning< class TransferDataBetweenMeshesIncompatiblePartitioning< dftfe::utils::MemorySpace::DEVICE> (line 351) | class TransferDataBetweenMeshesIncompatiblePartitioning< FILE: src/apiTest.cc function main (line 36) | dftfe::Int FILE: src/atom/AtomCenteredPseudoWavefunctionSpline.cpp type dftfe (line 20) | namespace dftfe FILE: src/atom/AtomCenteredSphericalFunctionBase.cc type dftfe (line 21) | namespace dftfe FILE: src/atom/AtomCenteredSphericalFunctionBessel.cc type dftfe (line 20) | namespace dftfe FILE: src/atom/AtomCenteredSphericalFunctionContainer.cc type dftfe (line 20) | namespace dftfe FILE: src/atom/AtomCenteredSphericalFunctionCoreDensitySpline.cc type dftfe (line 20) | namespace dftfe FILE: src/atom/AtomCenteredSphericalFunctionGaussian.cc type dftfe (line 20) | namespace dftfe FILE: src/atom/AtomCenteredSphericalFunctionLocalPotentialSpline.cc type dftfe (line 20) | namespace dftfe FILE: src/atom/AtomCenteredSphericalFunctionProjectorSpline.cc type dftfe (line 20) | namespace dftfe FILE: src/atom/AtomCenteredSphericalFunctionSinc.cc type dftfe (line 20) | namespace dftfe FILE: src/atom/AtomCenteredSphericalFunctionSpline.cc type dftfe (line 20) | namespace dftfe FILE: src/atom/AtomCenteredSphericalFunctionValenceDensitySpline.cc type dftfe (line 20) | namespace dftfe FILE: src/atom/AtomCenteredSphericalFunctionZOverR.cc type dftfe (line 20) | namespace dftfe FILE: src/atom/AtomPseudoWavefunctions.cc type dftfe (line 20) | namespace dftfe FILE: src/atom/AtomicCenteredNonLocalOperator.cc type dftfe (line 27) | namespace dftfe function ValueType (line 2399) | const ValueType * class AtomicCenteredNonLocalOperator< dataTypes::number, dftfe::utils::MemorySpace::HOST> (line 6171) | class AtomicCenteredNonLocalOperator< class AtomicCenteredNonLocalOperator< dataTypes::numberFP32, dftfe::utils::MemorySpace::HOST> (line 6174) | class AtomicCenteredNonLocalOperator< class AtomicCenteredNonLocalOperator< dataTypes::number, dftfe::utils::MemorySpace::DEVICE> (line 6242) | class AtomicCenteredNonLocalOperator< class AtomicCenteredNonLocalOperator< dataTypes::numberFP32, dftfe::utils::MemorySpace::DEVICE> (line 6245) | class AtomicCenteredNonLocalOperator< FILE: src/atom/AtomicCenteredNonLocalOperatorKernelsDevice.cc type dftfe (line 27) | namespace dftfe function DFTFE_CREATE_KERNEL (line 183) | DFTFE_CREATE_KERNEL( function DFTFE_CREATE_KERNEL (line 217) | DFTFE_CREATE_KERNEL( function DFTFE_CREATE_KERNEL (line 251) | DFTFE_CREATE_KERNEL( function DFTFE_CREATE_KERNEL (line 295) | DFTFE_CREATE_KERNEL( function DFTFE_CREATE_KERNEL (line 367) | DFTFE_CREATE_KERNEL( function DFTFE_CREATE_KERNEL (line 397) | DFTFE_CREATE_KERNEL( function DFTFE_CREATE_KERNEL (line 426) | DFTFE_CREATE_KERNEL( function DFTFE_CREATE_KERNEL (line 466) | DFTFE_CREATE_KERNEL( type AtomicCenteredNonLocalOperatorKernelsDevice (line 507) | namespace AtomicCenteredNonLocalOperatorKernelsDevice function sqrtAlphaScalingWaveFunctionEntries (line 510) | void function copyFromParallelNonLocalVecToAllCellsVec (line 537) | void function copyToDealiiParallelNonLocalVec (line 563) | void function copyToDealiiParallelNonLocalVecFromPaddedVector (line 590) | void function copyFromDealiiParallelNonLocalVecToPaddedVector (line 614) | void function addNonLocalContribution (line 639) | void function addNonLocalContribution (line 680) | void function assembleAtomLevelContributionsFromCellLevel (line 717) | void FILE: src/dft/applyHomogeneousDirichletBC.cc type dftfe (line 21) | namespace dftfe FILE: src/dft/applyMultipoleDirichletBC.cc type dftfe (line 20) | namespace dftfe FILE: src/dft/atomicRho.cc type dftfe (line 22) | namespace dftfe FILE: src/dft/charge.cc type dftfe (line 28) | namespace dftfe FILE: src/dft/computeAuxProjectedDensityMatrixFromPSI.cc type dftfe (line 33) | namespace dftfe function computeAuxProjectedDensityMatrixFromPSI (line 36) | void FILE: src/dft/computeOutputDensityDirectionalDerivative.cc type dftfe (line 23) | namespace dftfe FILE: src/dft/createBinsSanityCheck.cc type dftfe (line 20) | namespace dftfe FILE: src/dft/density.cc type dftfe (line 24) | namespace dftfe FILE: src/dft/densityCalculator.cc type dftfe (line 28) | namespace dftfe function computeRhoFromPSI (line 31) | void function computeRhoGradRhoFromInterpolatedValues (line 602) | void function computeTauFromInterpolatedValues (line 755) | void FILE: src/dft/densityCalculatorDeviceKernels.cc type dftfe (line 23) | namespace dftfe function DFTFE_CREATE_KERNEL (line 28) | DFTFE_CREATE_KERNEL( function DFTFE_CREATE_KERNEL (line 83) | DFTFE_CREATE_KERNEL( function DFTFE_CREATE_KERNEL (line 163) | DFTFE_CREATE_KERNEL( function DFTFE_CREATE_KERNEL (line 276) | DFTFE_CREATE_KERNEL( function DFTFE_CREATE_KERNEL (line 318) | DFTFE_CREATE_KERNEL( function computeRhoGradRhoFromInterpolatedValues (line 392) | void function computeTauFromInterpolatedValues (line 490) | void FILE: src/dft/densityFirstOrderResponseCalculator.cc type dftfe (line 27) | namespace dftfe function computeRhoFirstOrderResponse (line 30) | void function computeRhoResponseFromInterpolatedValues (line 405) | void FILE: src/dft/densityFirstOrderResponseCalculatorDeviceKernels.cc type dftfe (line 23) | namespace dftfe function DFTFE_CREATE_KERNEL (line 28) | DFTFE_CREATE_KERNEL( function DFTFE_CREATE_KERNEL (line 54) | DFTFE_CREATE_KERNEL( function computeRhoResponseFromInterpolatedValues (line 88) | void FILE: src/dft/dft.cc type internaldft (line 286) | namespace internaldft function convertToCellCenteredCartesianCoordinates (line 288) | void function dftParameters (line 5050) | dftParameters & function elpaScalaManager (line 5386) | elpaScalaManager * function chebyshevOrthogonalizedSubspaceIterationSolverDevice (line 5395) | chebyshevOrthogonalizedSubspaceIterationSolverDevice * function chebyshevOrthogonalizedSubspaceIterationSolver (line 5404) | chebyshevOrthogonalizedSubspaceIterationSolver * function triangulationManager (line 5447) | triangulationManager * function MPI_Comm (line 5603) | const MPI_Comm & function MPI_Comm (line 5610) | const MPI_Comm & function MPI_Comm (line 5617) | const MPI_Comm & function MPI_Comm (line 5624) | const MPI_Comm & function expConfiningPotential (line 5631) | const expConfiningPotential & FILE: src/dft/dft.inst.cc class dftClass (line 1) | class dftClass class dftClass (line 3) | class dftClass FILE: src/dft/dftd.cc type dftfe (line 22) | namespace dftfe FILE: src/dft/dos.cc type dftfe (line 24) | namespace dftfe function loadSingleAtomPSIFiles (line 26) | void FILE: src/dft/energyCalculator.cc type dftfe (line 26) | namespace dftfe type internalEnergy (line 28) | namespace internalEnergy function computeFieldTimesDensity (line 31) | double function computeFieldTimesDensityResidual (line 58) | double function computeFieldTimesDensity (line 88) | double function computeFieldTimesDensityResidual (line 114) | double function transformNonColinDensityToSpinPolarizedDensity (line 143) | void function printEnergy (line 244) | void function localBandEnergy (line 361) | double function nuclearElectrostaticEnergyLocal (line 463) | double function nuclearElectrostaticEnergyResidualLocal (line 535) | double function computeRepulsiveEnergy (line 601) | double class energyCalculator (line 1518) | class energyCalculator class energyCalculator (line 1520) | class energyCalculator FILE: src/dft/energyDensity.cc type dftfe (line 34) | namespace dftfe FILE: src/dft/expConfiningPotential.cpp type dftfe (line 22) | namespace dftfe FILE: src/dft/femUtilityFunctions.cc type dftfe (line 22) | namespace dftfe FILE: src/dft/fermiEnergy.cc type dftfe (line 22) | namespace dftfe type internal (line 24) | namespace internal function FermiDiracFunctionValue (line 26) | double function FermiDiracFunctionDerivativeValue (line 66) | double FILE: src/dft/generateImageCharges.cc type dftfe (line 32) | namespace dftfe type internaldft (line 34) | namespace internaldft function roundToCell (line 36) | double function cross (line 53) | std::vector function getNearestPointOnGivenSurface (line 72) | std::vector function getMinDistanceFromImageToCell (line 154) | double FILE: src/dft/initBoundaryConditions.cc type dftfe (line 24) | namespace dftfe FILE: src/dft/initCoreRho.cc type dftfe (line 27) | namespace dftfe FILE: src/dft/initElectronicFields.cc type dftfe (line 22) | namespace dftfe FILE: src/dft/initPseudoLocal.cc type dftfe (line 24) | namespace dftfe FILE: src/dft/initRho.cc type dftfe (line 30) | namespace dftfe FILE: src/dft/initUnmovedTriangulation.cc type dftfe (line 37) | namespace dftfe function readAtomToAtomicBasisFileName (line 41) | std::unordered_map FILE: src/dft/initkPointData.cc type dftfe (line 33) | namespace dftfe type internaldft (line 35) | namespace internaldft function cross_product (line 43) | std::vector function getReciprocalLatticeVectors (line 58) | std::vector> FILE: src/dft/kerker.cc type dftfe (line 23) | namespace dftfe FILE: src/dft/kohnShamEigenSolve.cc type dftfe (line 24) | namespace dftfe type internal (line 26) | namespace internal function pointWiseScaleWithDiagonal (line 28) | void FILE: src/dft/localizationLength.cc type dftfe (line 23) | namespace dftfe FILE: src/dft/locatenodes.cc type dftfe (line 21) | namespace dftfe FILE: src/dft/lowrankApproxScfDielectricMatrixInv.cc type dftfe (line 23) | namespace dftfe type internalLowrankJacInv (line 25) | namespace internalLowrankJacInv function relativeErrorEstimate (line 27) | double function predictNextStepResidual (line 81) | void function lowrankKernelApply (line 135) | void function lowrankJacInvApply (line 180) | void function lowrankJacApply (line 220) | void function estimateLargestEigenvalueMagJacLowrankPower (line 242) | double function estimateLargestEigenvalueMagJacInvLowrankPower (line 302) | double FILE: src/dft/lowrankApproxScfDielectricMatrixInvSpinPolarized.cc type dftfe (line 23) | namespace dftfe type internalLowrankJacInv (line 25) | namespace internalLowrankJacInv function frobeniusNormSpin (line 27) | double function relativeErrorEstimateSpin (line 34) | double function lowrankKernelApplySpin (line 114) | void function lowrankJacInvApplySpin (line 176) | void function lowrankJacApplySpin (line 238) | void function estimateLargestEigenvalueMagJacLowrankPowerSpin (line 270) | double function estimateLargestEigenvalueMagJacInvLowrankPowerSpin (line 357) | double FILE: src/dft/moveAtoms.cc type dftfe (line 21) | namespace dftfe type internal (line 23) | namespace internal function getFractionalCoordinates (line 42) | std::vector function wrapAtomsAcrossPeriodicBc (line 80) | std::vector FILE: src/dft/moveMeshToAtoms.cc type dftfe (line 21) | namespace dftfe FILE: src/dft/pRefinedDoFHandler.cc type dftfe (line 22) | namespace dftfe FILE: src/dft/psiInitialGuess.cc type dftfe (line 32) | namespace dftfe FILE: src/dft/publicMethods.cc type dftfe (line 21) | namespace dftfe FILE: src/dft/restart.cc type dftfe (line 30) | namespace dftfe type internal (line 32) | namespace internal FILE: src/dft/solveBands.cc type dftfe (line 28) | namespace dftfe FILE: src/dft/solveNSCF.cc type dftfe (line 29) | namespace dftfe FILE: src/dft/solveVselfInBins.cc type dftfe (line 31) | namespace dftfe function smearedNuclearCharges (line 38) | void FILE: src/dft/solveVselfInBinsDevice.cc type dftfe (line 26) | namespace dftfe type poissonDevice (line 28) | namespace poissonDevice function computeAX (line 32) | void function precondition_Jacobi (line 154) | void function computeResidualSq (line 165) | void function solveVselfInBins (line 199) | void function cgSolver (line 344) | void FILE: src/dft/solveVselfInBinsDeviceKernels.cc type dftfe (line 3) | namespace dftfe type poissonDevice (line 5) | namespace poissonDevice function DFTFE_CREATE_KERNEL (line 10) | DFTFE_CREATE_KERNEL( function DFTFE_CREATE_KERNEL (line 31) | DFTFE_CREATE_KERNEL( function DFTFE_CREATE_KERNEL (line 48) | DFTFE_CREATE_KERNEL( function DFTFE_CREATE_KERNEL (line 67) | DFTFE_CREATE_KERNEL( function DFTFE_CREATE_KERNEL (line 84) | DFTFE_CREATE_KERNEL( function DFTFE_CREATE_KERNEL (line 108) | DFTFE_CREATE_KERNEL( function diagScale (line 129) | void function dotProductContributionBlocked (line 148) | void function scaleBlocked (line 165) | void function scale (line 183) | void function daxpyBlocked (line 199) | void function dmaxpyBlocked (line 221) | void FILE: src/dft/vselfBinsManager.cc type dftfe (line 26) | namespace dftfe type internal (line 28) | namespace internal function exchangeAtomToGlobalNodeIdMaps (line 30) | void function exchangeInteractionMaps (line 110) | void function createAndCheckInteractionMap (line 185) | dftfe::uInt FILE: src/dftOperator/KohnShamDFTBaseOperator.cc type dftfe (line 32) | namespace dftfe type internal (line 34) | namespace internal function computeCellHamiltonianMatrixNonCollinearFromBlocks (line 37) | void function computeVeffJxWEntries (line 97) | void function computeVeffBeffJxWEntries (line 132) | void function computeInvJacderExcWithSigmaTimesGradRhoJxWEntries (line 195) | void function computeInvJacderExcWithSigmaTimesGradRhoMagJxWEntries (line 298) | void function computeHalfInvJacinvJacderExcWithTauJxWEntries (line 471) | void function computeKPointDependenderExcWithTauJxWEntries (line 557) | void function MPI_Comm (line 1798) | const MPI_Comm & class KohnShamDFTBaseOperator (line 2672) | class KohnShamDFTBaseOperator class KohnShamDFTBaseOperator (line 2674) | class KohnShamDFTBaseOperator FILE: src/dftOperator/KohnShamDFTStandardEigenOperator.cc type dftfe (line 31) | namespace dftfe class KohnShamDFTStandardEigenOperator< dftfe::utils::MemorySpace::HOST> (line 789) | class KohnShamDFTStandardEigenOperator< class KohnShamDFTStandardEigenOperator< dftfe::utils::MemorySpace::DEVICE> (line 792) | class KohnShamDFTStandardEigenOperator< FILE: src/dftOperator/KohnShamHamiltonianOperatorDeviceKernels.cc type dftfe (line 26) | namespace dftfe function DFTFE_CREATE_KERNEL (line 30) | DFTFE_CREATE_KERNEL( type internal (line 91) | namespace internal function computeVeffJxWEntries (line 95) | void function computeInvJacderExcWithSigmaTimesGradRhoJxWEntries (line 117) | void function computeHalfInvJacinvJacderExcWithTauJxWEntries (line 148) | void function computeKPointDependenderExcWithTauJxWEntries (line 172) | void function computeCellHamiltonianMatrixNonCollinearFromBlocks (line 201) | void FILE: src/dftOperator/veffPrimeForLRDM.cc type dftfe (line 21) | namespace dftfe class KohnShamDFTBaseOperator (line 410) | class KohnShamDFTBaseOperator class KohnShamDFTBaseOperator (line 412) | class KohnShamDFTBaseOperator FILE: src/dftfeWrapper.cc type dftfe (line 53) | namespace dftfe type internalWrapper (line 55) | namespace internalWrapper function divisor_closest (line 57) | dftfe::Int function create_dftfe (line 71) | void function else (line 767) | else if (useDevice) function dftBase (line 1044) | dftBase * function dftParameters (line 1055) | dftParameters * FILE: src/excManager/AtomicBasisData.cpp type dftfe (line 5) | namespace dftfe FILE: src/excManager/AuxDensityMatrixFE.cpp type dftfe (line 9) | namespace dftfe function fillDensityAttributeData (line 13) | void class AuxDensityMatrixFE (line 301) | class AuxDensityMatrixFE class AuxDensityMatrixFE (line 303) | class AuxDensityMatrixFE FILE: src/excManager/ExcDFTPlusU.cpp type dftfe (line 28) | namespace dftfe class ExcDFTPlusU (line 229) | class ExcDFTPlusU (line 232) | class ExcDFTPlusU function gaussianRadialPart (line 71) | double function gaussianRadialPartDerivative (line 78) | double function getLimitingValueLaplacian (line 94) | double function getContractedGaussianValue (line 121) | double function getContractedGaussianGradient (line 146) | std::vector function getContractedGaussianLaplacian (line 293) | double function getContractedGaussians (line 367) | void FILE: src/excManager/NNGGA.cc type dftfe (line 11) | namespace dftfe type CastToFloat (line 15) | struct CastToFloat type CastToDouble (line 24) | struct CastToDouble function interleave (line 33) | inline void function trim (line 76) | std::string function getKeyValuePairs (line 87) | std::map function excSpinUnpolarized (line 112) | void function excSpinPolarized (line 180) | void function dexcSpinUnpolarized (line 252) | void function dexcSpinPolarized (line 333) | void FILE: src/excManager/NNLDA.cc type dftfe (line 9) | namespace dftfe type CastToFloat (line 13) | struct CastToFloat type CastToDouble (line 22) | struct CastToDouble function trim (line 31) | std::string function getKeyValuePairs (line 42) | std::map function excSpinUnpolarized (line 67) | void function excSpinPolarized (line 117) | void function vxcSpinUnpolarized (line 167) | void function vxcSpinPolarized (line 226) | void FILE: src/excManager/NNLLMGGA.cpp type dftfe (line 12) | namespace dftfe type CastToFloat (line 16) | struct CastToFloat type CastToDouble (line 25) | struct CastToDouble function interleave (line 35) | inline void function trim (line 95) | std::string function getKeyValuePairs (line 106) | std::map function excSpinPolarized (line 132) | void function dexcSpinPolarized (line 214) | void FILE: src/excManager/SlaterBasis.cpp type dftfe (line 35) | namespace dftfe function factorial (line 40) | dftfe::Int function getSlaterPrimitivesFromBasisFile (line 196) | void function slaterRadialPart (line 310) | inline double function slaterRadialPartDerivative (line 319) | inline double function getSlaterValue (line 335) | double function getSlaterGradientAtOrigin (line 353) | std::vector function getSlaterGradientAtPoles (line 412) | std::vector function getSlaterGradient (line 489) | std::vector function getSlaterLaplacianAtOrigin (line 537) | double function getSlaterLaplacianAtPoles (line 582) | double function getSlaterLaplacian (line 619) | double FILE: src/excManager/excDensityGGAClass.cpp type dftfe (line 29) | namespace dftfe class excDensityGGAClass (line 610) | class excDensityGGAClass class excDensityGGAClass (line 612) | class excDensityGGAClass FILE: src/excManager/excDensityLDAClass.cpp type dftfe (line 29) | namespace dftfe class excDensityLDAClass (line 534) | class excDensityLDAClass class excDensityLDAClass (line 536) | class excDensityLDAClass FILE: src/excManager/excDensityLLMGGAClass.cpp type dftfe (line 11) | namespace dftfe class excDensityLLMGGAClass (line 794) | class excDensityLLMGGAClass class excDensityLLMGGAClass (line 796) | class excDensityLLMGGAClass FILE: src/excManager/excManager.cpp type dftfe (line 30) | namespace dftfe function lastN (line 34) | std::string function initializeSSDPtr (line 44) | std::shared_ptr> type internal (line 232) | namespace internal function fillRhoVector (line 235) | void function fillRhoSigmaVector (line 253) | void function fillRhoSigmaTauVector (line 286) | void class excManager (line 449) | class excManager class excManager (line 451) | class excManager FILE: src/excManager/excManagerDeviceKernels.cc type dftfe (line 29) | namespace dftfe type internal (line 31) | namespace internal function DFTFE_CREATE_KERNEL (line 33) | DFTFE_CREATE_KERNEL( function DFTFE_CREATE_KERNEL (line 52) | DFTFE_CREATE_KERNEL( function DFTFE_CREATE_KERNEL (line 86) | DFTFE_CREATE_KERNEL( function fillRhoVector (line 134) | void function fillRhoSigmaVector (line 166) | void function fillRhoSigmaTauVector (line 216) | void FILE: src/excManager/excTauMGGAClass.cpp type dftfe (line 28) | namespace dftfe class excTauMGGAClass (line 760) | class excTauMGGAClass class excTauMGGAClass (line 762) | class excTauMGGAClass FILE: src/excManager/exchangeCorrelationFunctionalEvaluatorCPU.cc type dftfe (line 18) | namespace dftfe FILE: src/excManager/exchangeCorrelationFunctionalEvaluatorDevice.cc type dftfe (line 26) | namespace dftfe type dftfe (line 338) | namespace dftfe FILE: src/excManager/hubbardClass.cpp type dftfe (line 38) | namespace dftfe class hubbard (line 1372) | class hubbard class hubbard (line 1374) | class hubbard FILE: src/force/configurationalForce.cc type dftfe (line 23) | namespace dftfe type internalForce (line 25) | namespace internalForce function transformNonColinDensityToSpinPolarizedDensity (line 28) | void function computeWavefuncEshelbyContributionLocal (line 4840) | void function nlpWfcContractionContribution (line 4985) | void class configurationalForceClass (line 5016) | class configurationalForceClass class configurationalForceClass (line 5018) | class configurationalForceClass FILE: src/force/configurationalForceKernels.cc function DFTFE_CREATE_KERNEL (line 20) | DFTFE_CREATE_KERNEL( function DFTFE_CREATE_KERNEL (line 107) | DFTFE_CREATE_KERNEL( function DFTFE_CREATE_KERNEL (line 439) | DFTFE_CREATE_KERNEL( function DFTFE_CREATE_KERNEL (line 475) | DFTFE_CREATE_KERNEL( type dftfe (line 514) | namespace dftfe function computeWavefuncEshelbyContributionLocal (line 517) | void function nlpWfcContractionContribution (line 591) | void FILE: src/geoOpt/geoOptCell.cc type dftfe (line 29) | namespace dftfe function MPI_Comm (line 743) | const MPI_Comm & FILE: src/geoOpt/geoOptIon.cc type dftfe (line 30) | namespace dftfe function MPI_Comm (line 810) | const MPI_Comm & FILE: src/geoOpt/geometryOptimizationClass.cc type dftfe (line 28) | namespace dftfe FILE: src/helmholtz/kerkerSolverProblem.cc type dftfe (line 23) | namespace dftfe class kerkerSolverProblem<1> (line 275) | class kerkerSolverProblem<1> class kerkerSolverProblem<2> (line 276) | class kerkerSolverProblem<2> class kerkerSolverProblem<3> (line 277) | class kerkerSolverProblem<3> class kerkerSolverProblem<4> (line 278) | class kerkerSolverProblem<4> class kerkerSolverProblem<5> (line 279) | class kerkerSolverProblem<5> class kerkerSolverProblem<6> (line 280) | class kerkerSolverProblem<6> class kerkerSolverProblem<7> (line 281) | class kerkerSolverProblem<7> class kerkerSolverProblem<8> (line 282) | class kerkerSolverProblem<8> class kerkerSolverProblem<9> (line 283) | class kerkerSolverProblem<9> class kerkerSolverProblem<10> (line 284) | class kerkerSolverProblem<10> class kerkerSolverProblem<11> (line 285) | class kerkerSolverProblem<11> class kerkerSolverProblem<12> (line 286) | class kerkerSolverProblem<12> class kerkerSolverProblem<13> (line 287) | class kerkerSolverProblem<13> class kerkerSolverProblem<14> (line 288) | class kerkerSolverProblem<14> class kerkerSolverProblem<15> (line 289) | class kerkerSolverProblem<15> class kerkerSolverProblem<16> (line 290) | class kerkerSolverProblem<16> FILE: src/helmholtz/kerkerSolverProblemDevice.cc type dftfe (line 25) | namespace dftfe FILE: src/helmholtz/kerkerSolverProblemDevice.inst.cc class kerkerSolverProblemDevice<1> (line 1) | class kerkerSolverProblemDevice<1> class kerkerSolverProblemDevice<2> (line 2) | class kerkerSolverProblemDevice<2> class kerkerSolverProblemDevice<3> (line 3) | class kerkerSolverProblemDevice<3> class kerkerSolverProblemDevice<4> (line 4) | class kerkerSolverProblemDevice<4> class kerkerSolverProblemDevice<5> (line 5) | class kerkerSolverProblemDevice<5> class kerkerSolverProblemDevice<6> (line 6) | class kerkerSolverProblemDevice<6> class kerkerSolverProblemDevice<7> (line 7) | class kerkerSolverProblemDevice<7> class kerkerSolverProblemDevice<8> (line 8) | class kerkerSolverProblemDevice<8> class kerkerSolverProblemDevice<9> (line 9) | class kerkerSolverProblemDevice<9> class kerkerSolverProblemDevice<10> (line 10) | class kerkerSolverProblemDevice<10> class kerkerSolverProblemDevice<11> (line 11) | class kerkerSolverProblemDevice<11> class kerkerSolverProblemDevice<12> (line 12) | class kerkerSolverProblemDevice<12> class kerkerSolverProblemDevice<13> (line 13) | class kerkerSolverProblemDevice<13> class kerkerSolverProblemDevice<14> (line 14) | class kerkerSolverProblemDevice<14> class kerkerSolverProblemDevice<15> (line 15) | class kerkerSolverProblemDevice<15> class kerkerSolverProblemDevice<16> (line 16) | class kerkerSolverProblemDevice<16> FILE: src/linAlg/elpaScalaManager.cc type dftfe (line 28) | namespace dftfe function MPI_Comm (line 55) | const MPI_Comm & FILE: src/linAlg/linearAlgebraOperationsCPU.cc type dftfe (line 38) | namespace dftfe type linearAlgebraOperations (line 40) | namespace linearAlgebraOperations function inverse (line 42) | void function callevd (line 58) | void function callevd (line 93) | void function callevr (line 134) | void function callevr (line 182) | void function callgemm (line 226) | void function callgemm (line 252) | void function gramSchmidtOrthogonalization (line 280) | void function rayleighRitzGEP (line 376) | void function XtHXXtOXMixedPrec (line 702) | void function rayleighRitz (line 1077) | void function elpaDiagonalization (line 1261) | void function elpaDiagonalizationGEP (line 1331) | void function computeEigenResidualNorm (line 1514) | void function lowdenOrthogonalization (line 1655) | dftfe::uInt function lowdenOrthogonalization (line 1840) | dftfe::uInt function densityMatrixEigenBasisFirstOrderResponse (line 2040) | void function XtHX (line 2273) | void function XtHX (line 2359) | void function XtOX (line 2531) | void function XtHXMixedPrec (line 2702) | void function XtOXMixedPrec (line 2982) | void function XtHXXtOX (line 3199) | void FILE: src/linAlg/linearAlgebraOperationsDevice.cc type dftfe (line 29) | namespace dftfe type linearAlgebraOperationsDevice (line 31) | namespace linearAlgebraOperationsDevice function chebyshevFilterOverlapComputeCommunication (line 33) | void function reformulatedChebyshevFilterOverlapComputeCommunication (line 155) | void function subspaceRotationScalapack (line 445) | void function subspaceRotationCGSMixedPrecScalapack (line 824) | void function subspaceRotationRRMixedPrecScalapack (line 1172) | void function fillParallelOverlapMatScalapack (line 1501) | void function fillParallelOverlapMatScalapackAsyncComputeCommun (line 1701) | void function fillParallelOverlapMatMixedPrecScalapack (line 2008) | void function fillParallelOverlapMatMixedPrecScalapackAsyncComputeCommun (line 2386) | void function fillParallelOverlapMatMixedPrecCommunScalapackAsyncComputeCommun (line 2926) | void function computeEigenResidualNorm (line 3367) | void function XtHX (line 3534) | void function XtHXOverlapComputeCommun (line 3692) | void function XtHXMixedPrecOverlapComputeCommun (line 4052) | void function XtHXMixedPrecCommunOverlapComputeCommun (line 4596) | void FILE: src/linAlg/linearAlgebraOperationsDeviceKernels.cc type dftfe (line 4) | namespace dftfe type linearAlgebraOperationsDevice (line 6) | namespace linearAlgebraOperationsDevice function DFTFE_CREATE_KERNEL (line 11) | DFTFE_CREATE_KERNEL( function DFTFE_CREATE_KERNEL (line 36) | DFTFE_CREATE_KERNEL( function DFTFE_CREATE_KERNEL (line 63) | DFTFE_CREATE_KERNEL( function DFTFE_CREATE_KERNEL (line 89) | DFTFE_CREATE_KERNEL( function DFTFE_CREATE_KERNEL (line 117) | DFTFE_CREATE_KERNEL( function DFTFE_CREATE_KERNEL (line 139) | DFTFE_CREATE_KERNEL( function DFTFE_CREATE_KERNEL (line 161) | DFTFE_CREATE_KERNEL( function DFTFE_CREATE_KERNEL (line 184) | DFTFE_CREATE_KERNEL( function DFTFE_CREATE_KERNEL (line 210) | DFTFE_CREATE_KERNEL( function DFTFE_CREATE_KERNEL (line 246) | DFTFE_CREATE_KERNEL( function DFTFE_CREATE_KERNEL (line 271) | DFTFE_CREATE_KERNEL( function DFTFE_CREATE_KERNEL (line 299) | DFTFE_CREATE_KERNEL( function DFTFE_CREATE_KERNEL (line 321) | DFTFE_CREATE_KERNEL( function addSubspaceRotatedBlockToX (line 348) | void function copyFromOverlapMatBlockToDPSPBlocks (line 373) | void function computeDiagQTimesX (line 395) | void function computeResidualDevice (line 414) | void function computeGeneralisedResidualDevice (line 440) | void function setZero (line 464) | void FILE: src/linAlg/linearAlgebraOperationsInternal.cc type dftfe (line 32) | namespace dftfe type linearAlgebraOperations (line 34) | namespace linearAlgebraOperations type internal (line 36) | namespace internal function setupELPAHandleParameters (line 38) | void function createProcessGridSquareMatrix (line 231) | void function createProcessGridRectangularMatrix (line 293) | void function createGlobalToLocalIdMapsScaLAPACKMat (line 331) | void function sumAcrossInterCommScaLAPACKMat (line 352) | void function scaleScaLAPACKMat (line 372) | void function broadcastAcrossInterCommScaLAPACKMat (line 392) | void function fillParallelOverlapMatrixMixedPrec (line 412) | void function fillParallelOverlapMatrix (line 608) | void function subspaceRotation (line 749) | void function subspaceRotationSpectrumSplit (line 1038) | void function subspaceRotationSpectrumSplitMixedPrec (line 1228) | void function subspaceRotationMixedPrec (line 1482) | void function subspaceRotationCGSMixedPrec (line 1824) | void FILE: src/linAlg/linearAlgebraOperationsOpt.cc type dftfe (line 32) | namespace dftfe type linearAlgebraOperations (line 34) | namespace linearAlgebraOperations function chebyshevFilter (line 40) | void function reformulatedChebyshevFilter (line 105) | void function generalisedLanczosLowerUpperBoundEigenSpectrum (line 227) | std::pair FILE: src/linAlg/mixingClass.cc type dftfe (line 24) | namespace dftfe FILE: src/linAlg/process_grid.cc type dftfe (line 21) | namespace dftfe function compute_processor_grid_sizes (line 35) | inline std::pair FILE: src/linAlg/pseudoGS.cc type dftfe (line 25) | namespace dftfe type linearAlgebraOperations (line 27) | namespace linearAlgebraOperations function pseudoGramSchmidtOrthogonalization (line 30) | dftfe::uInt FILE: src/linAlg/pseudoGSDevice.cc type dftfe (line 26) | namespace dftfe type linearAlgebraOperationsDevice (line 28) | namespace linearAlgebraOperationsDevice function pseudoGramSchmidtOrthogonalization (line 30) | void FILE: src/linAlg/rayleighRitzDevice.cc type dftfe (line 25) | namespace dftfe type linearAlgebraOperationsDevice (line 27) | namespace linearAlgebraOperationsDevice function rayleighRitz (line 29) | void function rayleighRitzGEP (line 315) | void function densityMatrixEigenBasisFirstOrderResponse (line 783) | void FILE: src/linAlg/scalapackWrapper.cc type dftfe (line 23) | namespace dftfe class ScaLAPACKMatrix (line 1785) | class ScaLAPACKMatrix class ScaLAPACKMatrix> (line 1786) | class ScaLAPACKMatrix> FILE: src/main.cc function main (line 48) | int FILE: src/matrixFree/MatrixFree.cc type dftfe (line 25) | namespace dftfe FILE: src/matrixFree/MatrixFreeDevice.cc type dftfe (line 26) | namespace dftfe FILE: src/matrixFree/MatrixFreeDevice.cu.cc function __device__ (line 29) | __device__ inline dftfe::uInt function __global__ (line 43) | __global__ void function __global__ (line 118) | __global__ void function __global__ (line 225) | __global__ void function __global__ (line 1046) | __global__ void FILE: src/matrixFree/MatrixFreeDevice.hip.cc function __device__ (line 29) | __device__ inline dftfe::uInt function __global__ (line 43) | __global__ void function __global__ (line 118) | __global__ void function __global__ (line 225) | __global__ void function __global__ (line 1046) | __global__ void FILE: src/matrixFree/MatrixFreeDevice.sycl.cc function getMultiVectorIndex (line 25) | inline dftfe::uInt function constraintsDistributeKernel (line 39) | void function constraintsDistributeTransposeKernel (line 119) | void function LaplaceKernel (line 235) | void function HelmholtzKernel (line 1041) | void FILE: src/md/molecularDynamicsClass.cc type dftfe (line 39) | namespace dftfe FILE: src/mdi/MDIEngine.cpp type dftfe (line 32) | namespace dftfe FILE: src/mdi/libraryMDI.cpp function MDI_Plugin_init_dftfe (line 33) | dftfe::Int function MDI_Plugin_open_dftfe (line 55) | dftfe::Int function MDI_Plugin_close_dftfe (line 76) | dftfe::Int function dftfe_execute_mdi_command (line 84) | dftfe::Int FILE: src/neb/nudgedElasticBandClass.cc type dftfe (line 25) | namespace dftfe function MPI_Comm (line 243) | const MPI_Comm & FILE: src/poisson/MultiVectorPoissonLinearSolverProblem.cpp type dftfe (line 25) | namespace dftfe class MultiVectorPoissonLinearSolverProblem< dftfe::utils::MemorySpace::HOST> (line 722) | class MultiVectorPoissonLinearSolverProblem< FILE: src/poisson/poissonSolverProblem.cc type dftfe (line 24) | namespace dftfe FILE: src/poisson/poissonSolverProblem.inst.cc class poissonSolverProblem<2> (line 1) | class poissonSolverProblem<2> class poissonSolverProblem<3> (line 2) | class poissonSolverProblem<3> class poissonSolverProblem<4> (line 3) | class poissonSolverProblem<4> class poissonSolverProblem<5> (line 4) | class poissonSolverProblem<5> class poissonSolverProblem<6> (line 5) | class poissonSolverProblem<6> class poissonSolverProblem<7> (line 6) | class poissonSolverProblem<7> class poissonSolverProblem<8> (line 7) | class poissonSolverProblem<8> class poissonSolverProblem<9> (line 8) | class poissonSolverProblem<9> class poissonSolverProblem<10> (line 9) | class poissonSolverProblem<10> class poissonSolverProblem<11> (line 10) | class poissonSolverProblem<11> class poissonSolverProblem<12> (line 11) | class poissonSolverProblem<12> class poissonSolverProblem<13> (line 12) | class poissonSolverProblem<13> class poissonSolverProblem<14> (line 13) | class poissonSolverProblem<14> class poissonSolverProblem<15> (line 14) | class poissonSolverProblem<15> class poissonSolverProblem<16> (line 15) | class poissonSolverProblem<16> FILE: src/poisson/poissonSolverProblemDevice.cc type dftfe (line 26) | namespace dftfe FILE: src/poisson/poissonSolverProblemDevice.inst.cc class poissonSolverProblemDevice<2> (line 1) | class poissonSolverProblemDevice<2> class poissonSolverProblemDevice<3> (line 2) | class poissonSolverProblemDevice<3> class poissonSolverProblemDevice<4> (line 3) | class poissonSolverProblemDevice<4> class poissonSolverProblemDevice<5> (line 4) | class poissonSolverProblemDevice<5> class poissonSolverProblemDevice<6> (line 5) | class poissonSolverProblemDevice<6> class poissonSolverProblemDevice<7> (line 6) | class poissonSolverProblemDevice<7> class poissonSolverProblemDevice<8> (line 7) | class poissonSolverProblemDevice<8> class poissonSolverProblemDevice<9> (line 8) | class poissonSolverProblemDevice<9> class poissonSolverProblemDevice<10> (line 9) | class poissonSolverProblemDevice<10> class poissonSolverProblemDevice<11> (line 10) | class poissonSolverProblemDevice<11> class poissonSolverProblemDevice<12> (line 11) | class poissonSolverProblemDevice<12> class poissonSolverProblemDevice<13> (line 12) | class poissonSolverProblemDevice<13> class poissonSolverProblemDevice<14> (line 13) | class poissonSolverProblemDevice<14> class poissonSolverProblemDevice<15> (line 14) | class poissonSolverProblemDevice<15> class poissonSolverProblemDevice<16> (line 15) | class poissonSolverProblemDevice<16> FILE: src/pseudo/oncv/atomCenteredPostProcessing.cc type dftfe (line 7) | namespace dftfe class atomCenteredOrbitalsPostProcessing< dataTypes::number, dftfe::utils::MemorySpace::HOST> (line 1140) | class atomCenteredOrbitalsPostProcessing< class atomCenteredOrbitalsPostProcessing< dataTypes::number, dftfe::utils::MemorySpace::DEVICE> (line 1145) | class atomCenteredOrbitalsPostProcessing< FILE: src/pseudo/oncv/oncvClass.cc type dftfe (line 20) | namespace dftfe type internal (line 22) | namespace internal function computeRealToComplexYlmRotMatrixElements (line 24) | std::complex function computeRealToComplexYlmRotMatrixElements (line 45) | std::complex function computeClebschGordonCeoff (line 67) | double function computefcoeff (line 93) | std::complex class oncvClass (line 1023) | class oncvClass class oncvClass (line 1025) | class oncvClass (line 540) | class BFGSInverseDFTSolver<2, 2, dftfe::utils::MemorySpace::HOST> class BFGSInverseDFTSolver<4, 4, dftfe::utils::MemorySpace::HOST> (line 541) | class BFGSInverseDFTSolver<4, 4, dftfe::utils::MemorySpace::HOST> class BFGSInverseDFTSolver<2, 2, dftfe::utils::MemorySpace::DEVICE> (line 543) | class BFGSInverseDFTSolver<2, 2, dftfe::utils::MemorySpace::DEVICE> class BFGSInverseDFTSolver<4, 4, dftfe::utils::MemorySpace::DEVICE> (line 544) | class BFGSInverseDFTSolver<4, 4, dftfe::utils::MemorySpace::DEVICE> FILE: src/solvers/MultiVectorCGSolver.cpp type dftfe (line 22) | namespace dftfe FILE: src/solvers/MultiVectorMinResSolver.cpp type dftfe (line 22) | namespace dftfe FILE: src/solvers/cgSolvers/BFGSNonLinearSolver.cc type dftfe (line 23) | namespace dftfe type internalBFGS (line 64) | namespace internalBFGS function computeL2Norm (line 69) | double function computePNorm (line 80) | double function computePdot (line 111) | double function computeLInfNorm (line 143) | double function dot (line 157) | double function axpy (line 173) | void function computeSymmetricRankOneUpdate (line 188) | void function computeEigenSpectrum (line 209) | void function computeEigenSpectrumGeneralized (line 266) | void function linearSolve (line 326) | void function computeDetNormalizationFactor (line 353) | double FILE: src/solvers/cgSolvers/LBFGSNonLinearSolver.cc type dftfe (line 23) | namespace dftfe type internalLBFGS (line 59) | namespace internalLBFGS function computeL2Norm (line 64) | double function computePNorm (line 75) | double function computePdot (line 105) | double function computeLInfNorm (line 137) | double function dot (line 151) | double function axpy (line 167) | void function computeEigenSpectrum (line 183) | void function linearSolve (line 238) | void function computeDetNormalizationFactor (line 265) | double FILE: src/solvers/cgSolvers/cgPRPNonLinearSolver.cc type dftfe (line 23) | namespace dftfe FILE: src/solvers/dealiiLinearSolver.cc type dftfe (line 22) | namespace dftfe FILE: src/solvers/dealiiLinearSolverProblem.cc type dftfe (line 21) | namespace dftfe FILE: src/solvers/eigenSolver.cc type dftfe (line 30) | namespace dftfe FILE: src/solvers/eigenSolvers/chebyshevOrthogonalizedSubspaceIterationSolver.cc type dftfe (line 44) | namespace dftfe type chebyshevOrthogonalizedSubspaceIterationSolverInternal (line 46) | namespace chebyshevOrthogonalizedSubspaceIterationSolverInternal function setChebyshevOrder (line 48) | dftfe::uInt function pointWiseScaleWithDiagonal (line 59) | void FILE: src/solvers/eigenSolvers/chebyshevOrthogonalizedSubspaceIterationSolverDevice.cc type dftfe (line 45) | namespace dftfe type internal (line 49) | namespace internal function setChebyshevOrder (line 51) | dftfe::uInt FILE: src/solvers/linearSolver.cc type dftfe (line 21) | namespace dftfe FILE: src/solvers/linearSolverCGDevice.cc type dftfe (line 24) | namespace dftfe FILE: src/solvers/linearSolverCGDeviceKernels.cc type dftfe (line 3) | namespace dftfe function applyPreconditionAndComputeDotProductDevice (line 268) | void function applyPreconditionComputeDotProductAndSaddDevice (line 294) | void function scaleXRandComputeNormDevice (line 320) | void function sadd (line 348) | void FILE: src/solvers/linearSolverDevice.cc type dftfe (line 21) | namespace dftfe FILE: src/solvers/linearSolverProblemDevice.cc type dftfe (line 21) | namespace dftfe FILE: src/solvers/nonLinearSolver.cc type dftfe (line 27) | namespace dftfe FILE: src/solvers/nonlinearSolverProblem.cc type dftfe (line 22) | namespace dftfe FILE: src/symmetry/groupSymmetry.cc type dftfe (line 24) | namespace dftfe FILE: src/triangulation/meshMovement/meshMovement.cc type dftfe (line 23) | namespace dftfe type meshMovementUtils (line 25) | namespace meshMovementUtils function getFractionalCoordinates (line 44) | std::vector FILE: src/triangulation/meshMovement/meshMovementAffineTransform.cc type dftfe (line 23) | namespace dftfe FILE: src/triangulation/meshMovement/meshMovementGaussian.cc type dftfe (line 23) | namespace dftfe FILE: src/triangulation/triangulationManager/generateMesh.cc type dftfe (line 18) | namespace dftfe type quadData (line 20) | struct quadData type internal (line 25) | namespace internal function checkTriangulationEqualityAcrossProcessorPools (line 27) | void function computeMeshMetrics (line 56) | void function computeLocalFiniteElementError (line 108) | void FILE: src/triangulation/triangulationManager/restartUtils.cc type dftfe (line 26) | namespace dftfe FILE: src/triangulation/triangulationManager/triangulationManager.cc type dftfe (line 34) | namespace dftfe FILE: utils/BLASWrapperDevice.cc type dftfe (line 63) | namespace dftfe type utils (line 65) | namespace utils function makeDataTypeDeviceBlasCompatible (line 70) | inline auto function makeDataTypeDeviceBlasCompatible (line 78) | inline double function makeDataTypeDeviceBlasCompatible (line 84) | inline float function hipblasDoubleComplex (line 113) | inline hipblasDoubleComplex function hipblasComplex (line 119) | inline hipblasComplex function hipblasComplex (line 125) | inline hipblasComplex * function hipblasComplex (line 131) | inline const hipblasComplex * function hipblasDoubleComplex (line 137) | inline hipblasDoubleComplex * function hipblasDoubleComplex (line 143) | inline const hipblasDoubleComplex * type linearAlgebra (line 151) | namespace linearAlgebra FILE: utils/BLASWrapperDeviceKernels.cc type dftfe (line 17) | namespace dftfe function DFTFE_CREATE_KERNEL (line 492) | DFTFE_CREATE_KERNEL( function DFTFE_CREATE_KERNEL (line 518) | DFTFE_CREATE_KERNEL( function DFTFE_CREATE_KERNEL (line 547) | DFTFE_CREATE_KERNEL( function DFTFE_CREATE_KERNEL (line 575) | DFTFE_CREATE_KERNEL( function DFTFE_CREATE_KERNEL (line 614) | DFTFE_CREATE_KERNEL( function DFTFE_CREATE_KERNEL (line 652) | DFTFE_CREATE_KERNEL( function DFTFE_CREATE_KERNEL (line 681) | DFTFE_CREATE_KERNEL( function DFTFE_CREATE_KERNEL (line 709) | DFTFE_CREATE_KERNEL( function DFTFE_CREATE_KERNEL (line 747) | DFTFE_CREATE_KERNEL( function DFTFE_CREATE_KERNEL (line 784) | DFTFE_CREATE_KERNEL( function DFTFE_CREATE_KERNEL (line 812) | DFTFE_CREATE_KERNEL( function DFTFE_CREATE_KERNEL (line 840) | DFTFE_CREATE_KERNEL( function DFTFE_CREATE_KERNEL (line 879) | DFTFE_CREATE_KERNEL( function DFTFE_CREATE_KERNEL (line 917) | DFTFE_CREATE_KERNEL( function DFTFE_CREATE_KERNEL (line 946) | DFTFE_CREATE_KERNEL( function DFTFE_CREATE_KERNEL (line 974) | DFTFE_CREATE_KERNEL( function DFTFE_CREATE_KERNEL (line 1013) | DFTFE_CREATE_KERNEL( function DFTFE_CREATE_KERNEL (line 1051) | DFTFE_CREATE_KERNEL( function DFTFE_CREATE_KERNEL (line 1083) | DFTFE_CREATE_KERNEL( function DFTFE_CREATE_KERNEL (line 1114) | DFTFE_CREATE_KERNEL( function DFTFE_CREATE_KERNEL (line 1145) | DFTFE_CREATE_KERNEL( function DFTFE_CREATE_KERNEL (line 1162) | DFTFE_CREATE_KERNEL( function DFTFE_CREATE_KERNEL (line 1179) | DFTFE_CREATE_KERNEL( function DFTFE_CREATE_KERNEL (line 1204) | DFTFE_CREATE_KERNEL( function DFTFE_CREATE_KERNEL (line 1221) | DFTFE_CREATE_KERNEL( function DFTFE_CREATE_KERNEL (line 1238) | DFTFE_CREATE_KERNEL( function DFTFE_CREATE_KERNEL (line 1413) | DFTFE_CREATE_KERNEL( function DFTFE_CREATE_KERNEL (line 1434) | DFTFE_CREATE_KERNEL( function DFTFE_CREATE_KERNEL (line 1456) | DFTFE_CREATE_KERNEL( FILE: utils/BLASWrapperHost.cc type dftfe (line 20) | namespace dftfe type linearAlgebra (line 22) | namespace linearAlgebra FILE: utils/Cell.t.cc type dftfe (line 3) | namespace dftfe type utils (line 5) | namespace utils FILE: utils/DeviceAPICalls.cu.cc type dftfe (line 26) | namespace dftfe type utils (line 28) | namespace utils function __global__ (line 33) | __global__ void function deviceError_t (line 46) | deviceError_t function deviceError_t (line 55) | deviceError_t function deviceError_t (line 63) | deviceError_t function deviceError_t (line 71) | deviceError_t function deviceError_t (line 79) | deviceError_t function deviceError_t (line 87) | deviceError_t function deviceError_t (line 95) | deviceError_t function deviceSetValue (line 104) | void function deviceError_t (line 155) | deviceError_t function deviceError_t (line 163) | deviceError_t function deviceError_t (line 171) | deviceError_t function deviceError_t (line 179) | deviceError_t function deviceError_t (line 187) | deviceError_t function deviceError_t (line 194) | deviceError_t function deviceError_t (line 202) | deviceError_t function deviceError_t (line 217) | deviceError_t function deviceError_t (line 231) | deviceError_t function deviceError_t (line 245) | deviceError_t function deviceError_t (line 253) | deviceError_t function deviceError_t (line 265) | deviceError_t function deviceError_t (line 277) | deviceError_t function deviceError_t (line 289) | deviceError_t function deviceError_t (line 311) | deviceError_t function deviceError_t (line 319) | deviceError_t function deviceError_t (line 327) | deviceError_t function deviceError_t (line 335) | deviceError_t function deviceError_t (line 343) | deviceError_t function deviceError_t (line 351) | deviceError_t function deviceError_t (line 359) | deviceError_t FILE: utils/DeviceAPICalls.hip.cc type dftfe (line 27) | namespace dftfe type utils (line 29) | namespace utils function __global__ (line 34) | __global__ void function __global__ (line 46) | __global__ void function deviceError_t (line 53) | deviceError_t function deviceError_t (line 65) | deviceError_t function deviceError_t (line 73) | deviceError_t function deviceError_t (line 81) | deviceError_t function deviceError_t (line 89) | deviceError_t function deviceError_t (line 97) | deviceError_t function deviceError_t (line 105) | deviceError_t function deviceSetValue (line 114) | void function deviceError_t (line 168) | deviceError_t function deviceError_t (line 176) | deviceError_t function deviceError_t (line 185) | deviceError_t function deviceError_t (line 193) | deviceError_t function deviceError_t (line 201) | deviceError_t function deviceError_t (line 208) | deviceError_t function deviceError_t (line 216) | deviceError_t function deviceError_t (line 231) | deviceError_t function deviceError_t (line 245) | deviceError_t function deviceError_t (line 259) | deviceError_t function deviceError_t (line 267) | deviceError_t function deviceError_t (line 279) | deviceError_t function deviceError_t (line 291) | deviceError_t function deviceError_t (line 303) | deviceError_t function deviceError_t (line 324) | deviceError_t function deviceError_t (line 332) | deviceError_t function deviceError_t (line 340) | deviceError_t function deviceError_t (line 348) | deviceError_t function deviceError_t (line 356) | deviceError_t function deviceError_t (line 364) | deviceError_t function deviceError_t (line 372) | deviceError_t FILE: utils/DeviceAPICalls.sycl.cc type dftfe (line 28) | namespace dftfe type utils (line 30) | namespace utils function setValueKernel (line 35) | void function deviceError_t (line 53) | deviceError_t function deviceError_t (line 67) | deviceError_t function deviceError_t (line 87) | deviceError_t function deviceError_t (line 94) | deviceError_t function deviceError_t (line 101) | deviceError_t function deviceError_t (line 111) | deviceError_t function deviceError_t (line 128) | deviceError_t function deviceSetValue (line 139) | void function deviceError_t (line 200) | deviceError_t function deviceError_t (line 218) | deviceError_t function deviceError_t (line 232) | deviceError_t function deviceError_t (line 246) | deviceError_t function deviceError_t (line 256) | deviceError_t function deviceError_t (line 272) | deviceError_t function deviceError_t (line 282) | deviceError_t function deviceError_t (line 297) | deviceError_t function deviceError_t (line 311) | deviceError_t function deviceError_t (line 325) | deviceError_t function deviceError_t (line 333) | deviceError_t function deviceError_t (line 352) | deviceError_t function deviceError_t (line 371) | deviceError_t function deviceError_t (line 390) | deviceError_t function deviceError_t (line 406) | deviceError_t function deviceError_t (line 418) | deviceError_t function deviceError_t (line 425) | deviceError_t function deviceError_t (line 431) | deviceError_t function deviceError_t (line 437) | deviceError_t function deviceError_t (line 445) | deviceError_t function deviceError_t (line 452) | deviceError_t FILE: utils/DeviceDirectCCLWrapper.cc type dftfe (line 35) | namespace dftfe type utils (line 37) | namespace utils FILE: utils/DeviceKernelsGeneric.cc type dftfe (line 26) | namespace dftfe type utils (line 28) | namespace utils type deviceKernelsGeneric (line 30) | namespace deviceKernelsGeneric function setupDevice (line 32) | void FILE: utils/Exceptions.cc type dftfe (line 23) | namespace dftfe type utils (line 25) | namespace utils class ExceptionWithMsg (line 32) | class ExceptionWithMsg : public std::exception method ExceptionWithMsg (line 35) | ExceptionWithMsg(std::string const &msg) function throwException (line 51) | void FILE: utils/FEBasisOperations.cc type dftfe (line 21) | namespace dftfe type basis (line 23) | namespace basis class FEBasisOperations (line 4046) | class FEBasisOperations, double, dftfe::utils::MemorySpace::HOST> (line 4055) | class FEBasisOperations, class FEBasisOperations (line 4060) | class FEBasisOperations, double, dftfe::utils::MemorySpace::DEVICE> (line 4068) | class FEBasisOperations, FILE: utils/FEBasisOperationsKernels.cc type dftfe (line 22) | namespace dftfe type basis (line 24) | namespace basis class FEBasisOperations, double, dftfe::utils::MemorySpace::HOST> (line 475) | class FEBasisOperations, class FEBasisOperations (line 480) | class FEBasisOperations (line 484) | class FEBasisOperations, double, dftfe::utils::MemorySpace::DEVICE> (line 488) | class FEBasisOperations, FILE: utils/FEBasisOperationsKernelsInternalDevice.cc type dftfe (line 21) | namespace dftfe type basis (line 131) | namespace basis type FEBasisOperationsKernelsInternal (line 133) | namespace FEBasisOperationsKernelsInternal function reshapeFromNonAffineLayoutDevice (line 137) | void function reshapeToNonAffineLayoutDevice (line 160) | void function scaleQuadratureDataWithDiagonalJacobianDevice (line 183) | void FILE: utils/FEBasisOperationsKernelsInternalHost.cc type dftfe (line 25) | namespace dftfe type basis (line 27) | namespace basis type FEBasisOperationsKernelsInternal (line 29) | namespace FEBasisOperationsKernelsInternal function reshapeFromNonAffineLayoutHost (line 32) | void function reshapeToNonAffineLayoutHost (line 50) | void function scaleQuadratureDataWithDiagonalJacobianHost (line 68) | void FILE: utils/FECell.t.cc type dftfe (line 3) | namespace dftfe type utils (line 5) | namespace utils FILE: utils/FiniteDifference.cc type dftfe (line 6) | namespace dftfe type utils (line 8) | namespace utils FILE: utils/MPICommunicatorP2P.cc type dftfe (line 28) | namespace dftfe type utils (line 30) | namespace utils type mpi (line 32) | namespace mpi class MPICommunicatorP2P (line 2183) | class MPICommunicatorP2P (line 2185) | class MPICommunicatorP2P, dftfe::utils::MemorySpace::DEVICE> (line 2187) | class MPICommunicatorP2P, class MPICommunicatorP2P, dftfe::utils::MemorySpace::DEVICE> (line 2189) | class MPICommunicatorP2P, class MPICommunicatorP2P (line 2192) | class MPICommunicatorP2P (line 2194) | class MPICommunicatorP2P, dftfe::utils::MemorySpace::HOST_PINNED> (line 2196) | class MPICommunicatorP2P, class MPICommunicatorP2P, dftfe::utils::MemorySpace::HOST_PINNED> (line 2198) | class MPICommunicatorP2P, class MPICommunicatorP2P (line 2203) | class MPICommunicatorP2P (line 2205) | class MPICommunicatorP2P class MPICommunicatorP2P, dftfe::utils::MemorySpace::HOST> (line 2206) | class MPICommunicatorP2P, class MPICommunicatorP2P, dftfe::utils::MemorySpace::HOST> (line 2208) | class MPICommunicatorP2P, FILE: utils/MPICommunicatorP2PKernels.cc type dftfe (line 28) | namespace dftfe type utils (line 30) | namespace utils class MPICommunicatorP2PKernels (line 131) | class MPICommunicatorP2PKernels (line 133) | class MPICommunicatorP2PKernels, dftfe::utils::MemorySpace::HOST> (line 135) | class MPICommunicatorP2PKernels, class MPICommunicatorP2PKernels, dftfe::utils::MemorySpace::HOST> (line 137) | class MPICommunicatorP2PKernels, class MPICommunicatorP2PKernels< double, dftfe::utils::MemorySpace::HOST_PINNED> (line 361) | class MPICommunicatorP2PKernels< class MPICommunicatorP2PKernels< float, dftfe::utils::MemorySpace::HOST_PINNED> (line 364) | class MPICommunicatorP2PKernels< class MPICommunicatorP2PKernels< std::complex, dftfe::utils::MemorySpace::HOST_PINNED> (line 367) | class MPICommunicatorP2PKernels< class MPICommunicatorP2PKernels< std::complex, dftfe::utils::MemorySpace::HOST_PINNED> (line 370) | class MPICommunicatorP2PKernels< FILE: utils/MPICommunicatorP2PKernelsDevice.cc type dftfe (line 40) | namespace dftfe type utils (line 42) | namespace utils class MPICommunicatorP2PKernels (line 482) | class MPICommunicatorP2PKernels (line 484) | class MPICommunicatorP2PKernels, dftfe::utils::MemorySpace::DEVICE> (line 486) | class MPICommunicatorP2PKernels, class MPICommunicatorP2PKernels, dftfe::utils::MemorySpace::DEVICE> (line 488) | class MPICommunicatorP2PKernels, FILE: utils/MPIRequestersNBX.cc type dftfe (line 28) | namespace dftfe type utils (line 30) | namespace utils type mpi (line 32) | namespace mpi FILE: utils/MPIWriteOnFile.cpp type dftfe (line 30) | namespace dftfe type dftUtils (line 32) | namespace dftUtils FILE: utils/MemoryManager.cc type dftfe (line 35) | namespace dftfe type utils (line 37) | namespace utils class MemoryManager (line 130) | class MemoryManager class MemoryManager (line 132) | class MemoryManager (line 135) | class MemoryManager class MemoryManager (line 137) | class MemoryManager (line 140) | class MemoryManager class MemoryManager (line 142) | class MemoryManager class MemoryManager (line 143) | class MemoryManager class MemoryManager, dftfe::utils::MemorySpace::DEVICE> (line 144) | class MemoryManager, class MemoryManager, dftfe::utils::MemorySpace::DEVICE> (line 146) | class MemoryManager, class MemoryManager (line 148) | class MemoryManager class MemoryManager, dftfe::utils::MemorySpace::DEVICE> (line 149) | class MemoryManager, class MemoryManager (line 151) | class MemoryManager class MemoryManager (line 153) | class MemoryManager (line 156) | class MemoryManager (line 159) | class MemoryManager (line 162) | class MemoryManager class MemoryManager (line 165) | class MemoryManager (line 167) | class MemoryManager class MemoryManager, dftfe::utils::MemorySpace::HOST_PINNED> (line 168) | class MemoryManager, class MemoryManager, dftfe::utils::MemorySpace::HOST_PINNED> (line 170) | class MemoryManager, class MemoryManager (line 172) | class MemoryManager, dftfe::utils::MemorySpace::HOST_PINNED> (line 174) | class MemoryManager, class MemoryManager (line 178) | class MemoryManager class MemoryManager (line 180) | class MemoryManager class MemoryManager (line 182) | class MemoryManager class MemoryManager (line 184) | class MemoryManager (line 187) | class MemoryManager class MemoryManager (line 190) | class MemoryManager class MemoryManager (line 191) | class MemoryManager class MemoryManager, dftfe::utils::MemorySpace::HOST> (line 192) | class MemoryManager, class MemoryManager, dftfe::utils::MemorySpace::HOST> (line 194) | class MemoryManager, class MemoryManager (line 196) | class MemoryManager class MemoryManager, dftfe::utils::MemorySpace::HOST> (line 197) | class MemoryManager, FILE: utils/MemoryTransferKernelsDevice.cc type dftfe (line 25) | namespace dftfe type utils (line 27) | namespace utils type memoryTransferKernelsDevice (line 29) | namespace memoryTransferKernelsDevice function deviceMemcpyD2H (line 31) | void function deviceMemcpyH2D (line 37) | void function deviceMemcpyD2D (line 43) | void FILE: utils/NodalData.cpp type dftfe (line 8) | namespace dftfe type dftUtils (line 10) | namespace dftUtils FILE: utils/PeriodicTable.cc type dftfe (line 23) | namespace dftfe type pseudoUtils (line 25) | namespace pseudoUtils FILE: utils/QuadDataCompositeWrite.cpp type dftfe (line 4) | namespace dftfe type dftUtils (line 6) | namespace dftUtils FILE: utils/RTreeBox.t.cc type dftfe (line 22) | namespace dftfe type utils (line 24) | namespace utils type RTreeBoxInternal (line 26) | namespace RTreeBoxInternal function convertToBBox (line 29) | BG::model::box> FILE: utils/RTreePoint.t.cc type dftfe (line 23) | namespace dftfe type utils (line 25) | namespace utils function assignValueToBoostPoint (line 35) | void type RTreePointInternal (line 73) | namespace RTreePointInternal function convertToBBox (line 76) | BG::model::box> FILE: utils/SphericalFunctionUtil.cpp type dftfe (line 25) | namespace dftfe type utils (line 27) | namespace utils type sphUtils (line 29) | namespace sphUtils function Am (line 34) | inline double function Blm (line 43) | inline double function convertCartesianToSpherical (line 55) | void function Clm (line 86) | double function Qm (line 93) | double function dQmDPhi (line 104) | double function d2QmDPhi2 (line 115) | double function Plm (line 126) | double function dPlmDTheta (line 141) | double function d2PlmDTheta2 (line 175) | double function YlmReal (line 207) | double function dYlmReal (line 220) | std::vector function d2YlmReal (line 238) | std::vector function getJInv (line 256) | std::vector> FILE: utils/StringOperations.cpp type dftfe (line 30) | namespace dftfe type utils (line 32) | namespace utils type stringOps (line 34) | namespace stringOps function strToInt (line 36) | bool function strToDouble (line 50) | bool function trim (line 64) | void function trimCopy (line 70) | std::string function split (line 76) | std::vector FILE: utils/constraintMatrixInfo.cc type dftfe (line 22) | namespace dftfe type dftUtils (line 27) | namespace dftUtils function callaxpy (line 34) | void function callaxpy (line 48) | void function callaxpy (line 62) | void function callaxpy (line 76) | void class constraintMatrixInfo (line 583) | class constraintMatrixInfo FILE: utils/constraintMatrixInfoDevice.cc type dftfe (line 24) | namespace dftfe type dftUtils (line 27) | namespace dftUtils class constraintMatrixInfo (line 379) | class constraintMatrixInfo FILE: utils/constraintMatrixInfoDeviceKernels.cc type dftfe (line 4) | namespace dftfe type dftUtils (line 7) | namespace dftUtils function DFTFE_CREATE_KERNEL (line 12) | DFTFE_CREATE_KERNEL( function DFTFE_CREATE_KERNEL (line 59) | DFTFE_CREATE_KERNEL( function DFTFE_CREATE_KERNEL (line 106) | DFTFE_CREATE_KERNEL( function DFTFE_CREATE_KERNEL (line 141) | DFTFE_CREATE_KERNEL( function DFTFE_CREATE_KERNEL (line 198) | DFTFE_CREATE_KERNEL( function DFTFE_CREATE_KERNEL (line 255) | DFTFE_CREATE_KERNEL( function DFTFE_CREATE_KERNEL (line 301) | DFTFE_CREATE_KERNEL( function DFTFE_CREATE_KERNEL (line 357) | DFTFE_CREATE_KERNEL( function DFTFE_CREATE_KERNEL (line 404) | DFTFE_CREATE_KERNEL( function DFTFE_CREATE_KERNEL (line 460) | DFTFE_CREATE_KERNEL( function DFTFE_CREATE_KERNEL (line 484) | DFTFE_CREATE_KERNEL( function DFTFE_CREATE_KERNEL (line 508) | DFTFE_CREATE_KERNEL( function DFTFE_CREATE_KERNEL (line 535) | DFTFE_CREATE_KERNEL( function distributeDevice (line 562) | void function distributeSlaveToMasterAtomicAddDevice (line 594) | void function setzeroDevice (line 623) | void function scaleConstraintsDevice (line 643) | void FILE: utils/dftParameters.cc type dftfe (line 27) | namespace dftfe type internalDftParameters (line 29) | namespace internalDftParameters function declare_parameters (line 31) | void FILE: utils/dftUtils.cc type dftfe (line 41) | namespace dftfe type dftUtils (line 43) | namespace dftUtils function getCompositeGeneratorVal (line 45) | double function getPartialOccupancy (line 57) | double function getPartialOccupancyDer (line 68) | double function createBoundingBoxForSphere (line 83) | dealii::BoundingBox<3> function cross_product (line 99) | void function transformDomainBoundingVectors (line 112) | void function printCurrentMemoryUsage (line 134) | void function writeDataVTUParallelLowestPoolId (line 175) | void function createBandParallelizationIndices (line 241) | void function createKpointParallelizationIndices (line 266) | void function MPI_Comm (line 346) | MPI_Comm & function MPI_Comm (line 352) | MPI_Comm & FILE: utils/fileReaders.cc type dftfe (line 28) | namespace dftfe type dftUtils (line 30) | namespace dftUtils function readFile (line 33) | void function readFile (line 74) | void function readPsiFile (line 128) | dftfe::Int function readRelaxationFlagsFile (line 172) | void function moveFile (line 225) | void function copyFile (line 255) | void function verifyCheckpointFileExists (line 275) | void function writeDataIntoFile (line 292) | void function writeDataIntoFile (line 323) | void FILE: utils/functionalTests/testDataTransfer.cpp type functionalTest (line 25) | namespace functionalTest function value (line 29) | double function real_part (line 37) | double function imaginary_part (line 43) | double function real_part (line 49) | double function imaginary_part (line 55) | double function conj_compl (line 61) | double function conj_compl (line 67) | std::complex function testAccumulateInsert (line 74) | void function testTransferFromParentToChildIncompatiblePartitioning (line 209) | void FILE: utils/functionalTests/testMultiVectorCGForPoisson.cpp type functionalTest (line 28) | namespace functionalTest function testMultiVectorPoissonSolver (line 31) | void FILE: utils/pseudoConverter.cc type dftfe (line 30) | namespace dftfe type pseudoUtils (line 32) | namespace pseudoUtils function ends_with (line 34) | bool function isupf (line 43) | bool function isxml (line 49) | bool function convert (line 56) | std::vector FILE: utils/runParameters.cc type dftfe (line 24) | namespace dftfe type internalRunParameters (line 26) | namespace internalRunParameters function declare_parameters (line 28) | void FILE: utils/vectorTools/vectorUtilities.cc type dftfe (line 25) | namespace dftfe type vectorTools (line 27) | namespace vectorTools function makeAffineConstraintsConsistentInParallel (line 29) | void function createParallelConstraintMatrixFromSerial (line 49) | void function createDealiiVector (line 237) | void function computeCellLocalIndexSetMap (line 349) | void function computeCellLocalIndexSetMap (line 414) | void function computeCellLocalIndexSetMap (line 571) | void function copyFlattenedSTLVecToSingleCompVec (line 697) | void function copyFlattenedSTLVecToSingleCompVec (line 734) | void function copyFlattenedSTLVecToSingleCompVec (line 763) | void function copyFlattenedDealiiVecToSingleCompVec (line 792) | void function copyFlattenedDealiiVecToSingleCompVec (line 861) | void function copySingleCompVecToFlattenedDealiiVec (line 920) | void function copySingleCompVecToFlattenedDealiiVec (line 965) | void function copySingleCompVecToFlattenedSTLVec (line 1000) | void function copySingleCompVecToFlattenedSTLVec (line 1041) | void function classifyInteriorSurfaceNodesInCell (line 1071) | void function classifyInteriorSurfaceNodesInGlobalArray (line 1107) | void function createBoundingBoxTriaLocallyOwned (line 1159) | std::pair, dealii::Point<3>>