Here is a list of all class members with links to the classes they belong to:

- c -

• c : dftfe::ContractedGaussian
• CalculateForceonImage() : dftfe::nudgedElasticBandClass
• CalculateForceparallel() : dftfe::nudgedElasticBandClass
• CalculateForceperpendicular() : dftfe::nudgedElasticBandClass
• calculateNearestAtomDistances() : dftfe::dftClass< FEOrder, FEOrderElectro, memorySpace >
• CalculatePathLength() : dftfe::nudgedElasticBandClass
• CalculatePathTangent() : dftfe::nudgedElasticBandClass
• calculateSmearedChargeWidths() : dftfe::dftClass< FEOrder, FEOrderElectro, memorySpace >
• CalculateSpringConstant() : dftfe::nudgedElasticBandClass
• CalculateSpringForce() : dftfe::nudgedElasticBandClass
• Cell() : dftfe::utils::Cell< dim >
• cellConstraintType : dftfe::dftParameters
• cellID() : dftfe::basis::FEBasisOperations< ValueTypeBasisCoeff, ValueTypeBasisData, memorySpace >
• cellIndex() : dftfe::basis::FEBasisOperations< ValueTypeBasisCoeff, ValueTypeBasisData, memorySpace >
• cellInverseMassVector() : dftfe::basis::FEBasisOperations< ValueTypeBasisCoeff, ValueTypeBasisData, memorySpace >
• cellInverseMassVectorBasisData() : dftfe::basis::FEBasisOperations< ValueTypeBasisCoeff, ValueTypeBasisData, memorySpace >
• cellInverseMassVectorBasisDataSinglePrec() : dftfe::basis::FEBasisOperations< ValueTypeBasisCoeff, ValueTypeBasisData, memorySpace >
• cellInverseSqrtMassVector() : dftfe::basis::FEBasisOperations< ValueTypeBasisCoeff, ValueTypeBasisData, memorySpace >
• cellInverseSqrtMassVectorBasisData() : dftfe::basis::FEBasisOperations< ValueTypeBasisCoeff, ValueTypeBasisData, memorySpace >
• cellMapTable : dftfe::symmetryClass< FEOrder, FEOrderElectro, memorySpace >
• cellMassMatrix() : dftfe::basis::FEBasisOperations< ValueTypeBasisCoeff, ValueTypeBasisData, memorySpace >
• cellMassMatrixBasisData() : dftfe::basis::FEBasisOperations< ValueTypeBasisCoeff, ValueTypeBasisData, memorySpace >
• cellMassVector() : dftfe::basis::FEBasisOperations< ValueTypeBasisCoeff, ValueTypeBasisData, memorySpace >
• cellMassVectorBasisData() : dftfe::basis::FEBasisOperations< ValueTypeBasisCoeff, ValueTypeBasisData, memorySpace >
• cellOptSolver : dftfe::dftParameters
• cellSqrtMassVector() : dftfe::basis::FEBasisOperations< ValueTypeBasisCoeff, ValueTypeBasisData, memorySpace >
• cellSqrtMassVectorBasisData() : dftfe::basis::FEBasisOperations< ValueTypeBasisCoeff, ValueTypeBasisData, memorySpace >
• cellStiffnessMatrix() : dftfe::basis::FEBasisOperations< ValueTypeBasisCoeff, ValueTypeBasisData, memorySpace >
• cellStiffnessMatrixBasisData() : dftfe::basis::FEBasisOperations< ValueTypeBasisCoeff, ValueTypeBasisData, memorySpace >
• cellsTypeFlag() : dftfe::basis::FEBasisOperations< ValueTypeBasisCoeff, ValueTypeBasisData, memorySpace >
• center : dftfe::GaussianBasisInfo, dftfe::SlaterBasisInfo
• CG : dftfe::dealiiLinearSolver
• cg : dftfe::GaussianBasisInfo
• cgPRPNonLinearSolver() : dftfe::cgPRPNonLinearSolver
• chebyshevFilterPolyDegreeFirstScfScalingFactor : dftfe::dftParameters
• chebyshevOrder : dftfe::dftParameters
• chebyshevOrthogonalizedSubspaceIterationSolver() : dftfe::chebyshevOrthogonalizedSubspaceIterationSolver
• chebyshevTolerance : dftfe::dftParameters
• chebyWfcBlockSize : dftfe::dftParameters
• check_parameters() : dftfe::dftParameters
• checkConstraintsConsistency() : dftfe::triangulationManager
• checkIfAllPointsAreFound() : dftfe::InterpolateCellWiseDataToPoints< T, memorySpace >
• checkInputOutputDataAttributesConsistency() : dftfe::excDensityGGAClass< memorySpace >, dftfe::excDensityLDAClass< memorySpace >, dftfe::excDensityLLMGGAClass< memorySpace >, dftfe::ExcDFTPlusU< ValueType, memorySpace >, dftfe::ExcSSDFunctionalBaseClass< memorySpace >
• checkPeriodicSurfaceRefinementConsistency() : dftfe::triangulationManager
• checkRestart() : dftfe::molecularDynamicsClass, dftfe::nudgedElasticBandClass
• checkWolfe() : dftfe::BFGSNonLinearSolver, dftfe::LBFGSNonLinearSolver
• clear() : dftfe::basis::FEBasisOperations< ValueTypeBasisCoeff, ValueTypeBasisData, memorySpace >, dftfe::dftfeWrapper, dftfe::dftUtils::constraintMatrixInfo< memorySpace >, dftfe::excManager< memorySpace >, dftfe::MultiVectorPoissonLinearSolverProblem< memorySpace >, dftfe::poissonSolverProblem< FEOrder, FEOrderElectro >, dftfe::utils::MemoryStorage< ValueType, memorySpace >
• clearHistory() : dftfe::MixingScheme
• clearMaps() : dftfe::symmetryClass< FEOrder, FEOrderElectro, memorySpace >
• clearRhoData() : dftfe::dftClass< FEOrder, FEOrderElectro, memorySpace >
• clearScratchMultiVectors() : dftfe::basis::FEBasisOperations< ValueTypeBasisCoeff, ValueTypeBasisData, memorySpace >
• column_block_size : dftfe::ScaLAPACKMatrix< NumberType >
• CompositeData() : dftfe::dftUtils::CompositeData
• compute_cholesky_factorization() : dftfe::ScaLAPACKMatrix< NumberType >
• compute_fermienergy() : dftfe::dftClass< FEOrder, FEOrderElectro, memorySpace >
• compute_fermienergy_constraintMagnetization() : dftfe::dftClass< FEOrder, FEOrderElectro, memorySpace >
• compute_fermienergy_constraintMagnetization_purestate() : dftfe::dftClass< FEOrder, FEOrderElectro, memorySpace >
• compute_fermienergy_purestate() : dftfe::dftClass< FEOrder, FEOrderElectro, memorySpace >
• compute_ldos() : dftfe::dftClass< FEOrder, FEOrderElectro, memorySpace >
• compute_localizationLength() : dftfe::dftClass< FEOrder, FEOrderElectro, memorySpace >
• compute_lu_factorization() : dftfe::ScaLAPACKMatrix< NumberType >
• compute_rhoOut() : dftfe::dftClass< FEOrder, FEOrderElectro, memorySpace >
• compute_tdos() : dftfe::dftClass< FEOrder, FEOrderElectro, memorySpace >
• computeAdaptiveAndersonMixingParameter() : dftfe::MixingScheme
• computeAndersonMixingCoeff() : dftfe::MixingScheme
• computeAndPrintKE() : dftfe::dftClass< FEOrder, FEOrderElectro, memorySpace >
• computeAndSymmetrize_rhoOut() : dftfe::symmetryClass< FEOrder, FEOrderElectro, memorySpace >
• computeAtomCenteredEntries() : dftfe::atomCenteredOrbitalsPostProcessing< ValueType, memorySpace >
• computeAtomsForces() : dftfe::forceClass< FEOrder, FEOrderElectro, memorySpace >
• computeAtomsForcesGaussianGenerator() : dftfe::forceClass< FEOrder, FEOrderElectro, memorySpace >
• computeAXDeviceHelmholtz() : dftfe::matrixFreeDeviceKernels< Type, M, N, K, dim >
• computeAXDeviceHelmholtzSetAttributes() : dftfe::matrixFreeDeviceKernels< Type, M, N, K, dim >
• computeAXDevicePoisson() : dftfe::matrixFreeDeviceKernels< Type, M, N, K, dim >
• computeAXDevicePoissonSetAttributes() : dftfe::matrixFreeDeviceKernels< Type, M, N, K, dim >
• computeCconjtransCMatrix() : dftfe::AtomicCenteredNonLocalOperator< ValueType, memorySpace >
• computeCellHamiltonianMatrix() : dftfe::KohnShamHamiltonianOperator< memorySpace >
• computeCellHamiltonianMatrixExtPotContribution() : dftfe::KohnShamHamiltonianOperator< memorySpace >
• computeCellMassMatrix() : dftfe::basis::FEBasisOperations< ValueTypeBasisCoeff, ValueTypeBasisData, memorySpace >
• computeCellStiffnessMatrix() : dftfe::basis::FEBasisOperations< ValueTypeBasisCoeff, ValueTypeBasisData, memorySpace >
• computeCMatrixEntries() : dftfe::AtomicCenteredNonLocalOperator< ValueType, memorySpace >
• computeConfigurationalForceEEshelbyEElectroPhiTot() : dftfe::forceClass< FEOrder, FEOrderElectro, memorySpace >
• computeConfigurationalForceEEshelbyTensorFPSPFnlLinFE() : dftfe::forceClass< FEOrder, FEOrderElectro, memorySpace >
• computeConfigurationalForceEselfLinFE() : dftfe::forceClass< FEOrder, FEOrderElectro, memorySpace >
• computeConfigurationalForceEselfNoSurfaceLinFE() : dftfe::forceClass< FEOrder, FEOrderElectro, memorySpace >
• computeConfigurationalForcePhiExtLinFE() : dftfe::forceClass< FEOrder, FEOrderElectro, memorySpace >
• computeConfigurationalForceTotalLinFE() : dftfe::forceClass< FEOrder, FEOrderElectro, memorySpace >
• computeCouplingMatrix() : dftfe::hubbard< ValueType, memorySpace >
• computeDeltaD() : dftfe::cgPRPNonLinearSolver
• computeDeltas() : dftfe::cgPRPNonLinearSolver
• computeDFTDCorrection() : dftfe::dispersionCorrection
• computeDFTFreeEnergy() : dftfe::dftfeWrapper
• computeDiagonalA() : dftfe::kerkerSolverProblem< FEOrderElectro >, dftfe::MultiVectorPoissonLinearSolverProblem< memorySpace >, dftfe::poissonSolverProblem< FEOrder, FEOrderElectro >
• computeDispresionCorrection() : dftfe::dispersionCorrection
• computeElementalNonLocalPseudoOVDataForce() : dftfe::forceClass< FEOrder, FEOrderElectro, memorySpace >
• computeEnergy() : dftfe::energyCalculator< memorySpace >
• computeEnergyEverySCF : dftfe::dftParameters
• computeEnergyFromOccupationMatrix() : dftfe::hubbard< ValueType, memorySpace >
• computeEnergyResidual() : dftfe::energyCalculator< memorySpace >
• computeEntropicEnergy() : dftfe::energyCalculator< memorySpace >
• computeEta() : dftfe::cgPRPNonLinearSolver
• computeFloatingAtomsForces() : dftfe::forceClass< FEOrder, FEOrderElectro, memorySpace >
• computeGlobalCMatrixVector() : dftfe::AtomicCenteredNonLocalOperator< ValueType, memorySpace >
• computeHubbardOccNumberFromCTransOnX() : dftfe::hubbard< ValueType, memorySpace >
• computeHx() : dftfe::LBFGSNonLinearSolver
• computeIncrement() : dftfe::meshMovementAffineTransform, dftfe::meshMovementGaussianClass
• computeIncrementTwoStep() : dftfe::meshMovementGaussianClass
• computeInverseSqrtMassVector() : dftfe::basis::FEBasisOperations< ValueTypeBasisCoeff, ValueTypeBasisData, memorySpace >
• computeLocalrhoOut() : dftfe::symmetryClass< FEOrder, FEOrderElectro, memorySpace >
• computeMaximumHighestOccupiedStateResidualNorm() : dftfe::dftClass< FEOrder, FEOrderElectro, memorySpace >
• computeMeanValueConstraint() : dftfe::MultiVectorPoissonLinearSolverProblem< memorySpace >, dftfe::poissonSolverProblem< FEOrder, FEOrderElectro >
• computeMixingMatrices() : dftfe::MixingScheme
• computeMultipoleMoments() : dftfe::dftClass< FEOrder, FEOrderElectro, memorySpace >
• computeNewtonStep() : dftfe::BFGSNonLinearSolver
• computeNonlocalPseudoPotentialConstants() : dftfe::oncvClass< ValueType, memorySpace >
• computeOccupationMatrix() : dftfe::hubbard< ValueType, memorySpace >
• computeOutputDensityDirectionalDerivative() : dftfe::dftClass< FEOrder, FEOrderElectro, memorySpace >
• computeResidualL2Norm() : dftfe::cgPRPNonLinearSolver
• computeResidualNodalData() : dftfe::dftClass< FEOrder, FEOrderElectro, memorySpace >
• computeResidualOccMat() : dftfe::hubbard< ValueType, memorySpace >
• computeResidualQuadData() : dftfe::dftClass< FEOrder, FEOrderElectro, memorySpace >
• computeRFOStep() : dftfe::BFGSNonLinearSolver
• computeRhoInitialGuessFromPSI() : dftfe::dftClass< FEOrder, FEOrderElectro, memorySpace >
• computeRhoNodalFirstOrderResponseFromPSIAndPSIPrime() : dftfe::dftClass< FEOrder, FEOrderElectro, memorySpace >
• computeRhoNodalFromPSI() : dftfe::dftClass< FEOrder, FEOrderElectro, memorySpace >
• computeRhoNodalMassVector() : dftfe::dftClass< FEOrder, FEOrderElectro, memorySpace >
• computeRhoTauDependentXCData() : dftfe::excDensityGGAClass< memorySpace >, dftfe::excDensityLDAClass< memorySpace >, dftfe::excDensityLLMGGAClass< memorySpace >, dftfe::ExcDFTPlusU< ValueType, memorySpace >, dftfe::ExcSSDFunctionalBaseClass< memorySpace >
• computeRhs() : dftfe::dealiiLinearSolverProblem, dftfe::kerkerSolverProblem< FEOrderElectro >, dftfe::MultiVectorLinearSolverProblem< memorySpace >, dftfe::MultiVectorPoissonLinearSolverProblem< memorySpace >, dftfe::poissonSolverProblem< FEOrder, FEOrderElectro >
• computeSparseStructure() : dftfe::AtomCenteredSphericalFunctionContainer
• computeStep() : dftfe::BFGSNonLinearSolver, dftfe::LBFGSNonLinearSolver
• computeStepScale() : dftfe::LBFGSNonLinearSolver
• computeStiffnessVector() : dftfe::basis::FEBasisOperations< ValueTypeBasisCoeff, ValueTypeBasisData, memorySpace >
• computeStress() : dftfe::dftBase, dftfe::dftClass< FEOrder, FEOrderElectro, memorySpace >, dftfe::dftfeWrapper, dftfe::forceClass< FEOrder, FEOrderElectro, memorySpace >
• computeStressEEshelbyEElectroPhiTot() : dftfe::forceClass< FEOrder, FEOrderElectro, memorySpace >
• computeStressEEshelbyEPSPEnlEk() : dftfe::forceClass< FEOrder, FEOrderElectro, memorySpace >
• computeStressEself() : dftfe::forceClass< FEOrder, FEOrderElectro, memorySpace >
• computeTotalNumberUnknowns() : dftfe::cgPRPNonLinearSolver
• computeTraceXtHX() : dftfe::dftClass< FEOrder, FEOrderElectro, memorySpace >
• computeTraceXtKX() : dftfe::dftClass< FEOrder, FEOrderElectro, memorySpace >
• computeTrustRadius() : dftfe::BFGSNonLinearSolver
• computeUpdateStep() : dftfe::LBFGSNonLinearSolver
• computeVEff() : dftfe::KohnShamHamiltonianOperator< memorySpace >
• computeVEffExternalPotCorr() : dftfe::KohnShamHamiltonianOperator< memorySpace >
• computeVEffPrime() : dftfe::KohnShamHamiltonianOperator< memorySpace >
• computeVolume() : dftfe::dftClass< FEOrder, FEOrderElectro, memorySpace >
• computeVselfFieldGateauxDerFD() : dftfe::dftClass< FEOrder, FEOrderElectro, memorySpace >
• computeWaveFunctionDependentExcEnergy() : dftfe::excDensityGGAClass< memorySpace >, dftfe::excDensityLDAClass< memorySpace >, dftfe::excDensityLLMGGAClass< memorySpace >, dftfe::ExcDFTPlusU< ValueType, memorySpace >, dftfe::ExcSSDFunctionalBaseClass< memorySpace >
• computeWeightedCellMassMatrix() : dftfe::basis::FEBasisOperations< ValueTypeBasisCoeff, ValueTypeBasisData, memorySpace >
• computeWeightedCellNjGradNiMatrix() : dftfe::basis::FEBasisOperations< ValueTypeBasisCoeff, ValueTypeBasisData, memorySpace >
• computeWeightedCellNjGradNiPlusNiGradNjMatrix() : dftfe::basis::FEBasisOperations< ValueTypeBasisCoeff, ValueTypeBasisData, memorySpace >
• computeXCEnergyTermsSpinPolarized() : dftfe::energyCalculator< memorySpace >
• computing_timer : dftfe::atomCenteredOrbitalsPostProcessing< ValueType, memorySpace >, dftfe::chebyshevOrthogonalizedSubspaceIterationSolver, dftfe::dftClass< FEOrder, FEOrderElectro, memorySpace >, dftfe::KohnShamHamiltonianOperator< memorySpace >, dftfe::symmetryClass< FEOrder, FEOrderElectro, memorySpace >, dftfe::triangulationManager
• computingTimerStandard : dftfe::dftClass< FEOrder, FEOrderElectro, memorySpace >
• config : dftfe::pseudoUtils::Element
• configForceLinFEFinalize() : dftfe::forceClass< FEOrder, FEOrderElectro, memorySpace >
• configForceLinFEInit() : dftfe::forceClass< FEOrder, FEOrderElectro, memorySpace >
• configuration() : dftfe::pseudoUtils::PeriodicTable
• confiningCParam : dftfe::dftParameters
• confiningInnerPotRad : dftfe::dftParameters
• confiningOuterPotRad : dftfe::dftParameters
• confiningPotential : dftfe::dftParameters
• confiningWParam : dftfe::dftParameters
• conjugate() : dftfe::ScaLAPACKMatrix< NumberType >
• consistentPeriodicBoundaryRefinement() : dftfe::triangulationManager
• const_iterator : dftfe::linearAlgebra::MultiVector< ValueType, memorySpace >, dftfe::utils::MemoryStorage< ValueType, memorySpace >
• const_reference : dftfe::linearAlgebra::MultiVector< ValueType, memorySpace >, dftfe::utils::MemoryStorage< ValueType, memorySpace >
• constraintMagnetization : dftfe::dftParameters
• constraintMatrixInfo() : dftfe::dftUtils::constraintMatrixInfo< memorySpace >
• constraintsNone : dftfe::dftClass< FEOrder, FEOrderElectro, memorySpace >
• constraintsNoneDataInfo : dftfe::dftClass< FEOrder, FEOrderElectro, memorySpace >
• constraintsNoneEigen : dftfe::dftClass< FEOrder, FEOrderElectro, memorySpace >
• constraintsNoneEigenDataInfo : dftfe::dftClass< FEOrder, FEOrderElectro, memorySpace >
• constraintsParallelCheck : dftfe::dftParameters
• constructBasisSet() : dftfe::AtomicBasis, dftfe::GaussianBasis, dftfe::SlaterBasis
• coordinatesFile : dftfe::dftParameters
• coordinatesFileNEB : dftfe::runParameters
• coordinatesGaussianDispFile : dftfe::dftParameters
• copy() : dftfe::utils::MemoryTransfer< memorySpaceDst, memorySpaceSrc >, dftfe::utils::MemoryTransfer< MemorySpace::HOST, MemorySpace::HOST >
• copy_conjugate_transposed() : dftfe::ScaLAPACKMatrix< NumberType >
• copy_to() : dftfe::ScaLAPACKMatrix< NumberType >
• copy_transposed() : dftfe::ScaLAPACKMatrix< NumberType >
• copyBackFromDistributedVectorToLocalDataStructure() : dftfe::AtomicCenteredNonLocalOperator< ValueType, memorySpace >
• copyCMatrixEntries() : dftfe::AtomicCenteredNonLocalOperator< ValueType, memorySpace >
• copyComplexArrToRealArrs() : dftfe::linearAlgebra::BLASWrapper< dftfe::utils::MemorySpace::HOST >
• copyFrom() : dftfe::utils::MemoryStorage< ValueType, memorySpace >
• copyGlobalCMatrix() : dftfe::AtomicCenteredNonLocalOperator< ValueType, memorySpace >
• copyPartitionerKPointsAndComputeCMatrixEntries() : dftfe::AtomicCenteredNonLocalOperator< ValueType, memorySpace >
• copyRealArrsToComplexArr() : dftfe::linearAlgebra::BLASWrapper< dftfe::utils::MemorySpace::HOST >
• copyTo() : dftfe::utils::MemoryStorage< ValueType, memorySpace >
• copyValueType1ArrToValueType2Arr() : dftfe::linearAlgebra::BLASWrapper< dftfe::utils::MemorySpace::HOST >, dftfe::utils::MPICommunicatorP2PKernels< ValueType, memorySpace >
• coreNuclearDensityPresent() : dftfe::oncvClass< ValueType, memorySpace >
• createAtomBins() : dftfe::vselfBinsManager< FEOrder, FEOrderElectro >
• createAtomBinsSanityCheck() : dftfe::vselfBinsManager< FEOrder, FEOrderElectro >
• createAtomCenteredSphericalFunctionsForDensities() : dftfe::oncvClass< ValueType, memorySpace >
• createAtomCenteredSphericalFunctionsForLocalPotential() : dftfe::oncvClass< ValueType, memorySpace >
• createAtomCenteredSphericalFunctionsForOrbitals() : dftfe::atomCenteredOrbitalsPostProcessing< ValueType, memorySpace >
• createAtomCenteredSphericalFunctionsForProjectors() : dftfe::hubbard< ValueType, memorySpace >, dftfe::oncvClass< ValueType, memorySpace >
• createBinObjectsForce() : dftfe::forceClass< FEOrder, FEOrderElectro, memorySpace >
• createConstraintsFromSerialDofhandler : dftfe::dftParameters
• createMasterChargeIdToImageIdMaps() : dftfe::dftClass< FEOrder, FEOrderElectro, memorySpace >
• createMultiVector() : dftfe::basis::FEBasisOperations< ValueTypeBasisCoeff, ValueTypeBasisData, memorySpace >
• createMultiVectorSinglePrec() : dftfe::basis::FEBasisOperations< ValueTypeBasisCoeff, ValueTypeBasisData, memorySpace >
• createpRefinedDofHandler() : dftfe::dftClass< FEOrder, FEOrderElectro, memorySpace >
• createScratchFolder() : dftfe::dftfeWrapper
• createScratchMultiVectors() : dftfe::basis::FEBasisOperations< ValueTypeBasisCoeff, ValueTypeBasisData, memorySpace >
• createScratchMultiVectorsSinglePrec() : dftfe::basis::FEBasisOperations< ValueTypeBasisCoeff, ValueTypeBasisData, memorySpace >
• crys2cart() : dftfe::symmetryClass< FEOrder, FEOrderElectro, memorySpace >