| computeNonlocalPseudoPotentialConstants() | dftfe::oncvClass< ValueType, memorySpace > | private |
| coreNuclearDensityPresent(dftfe::uInt Znum) | dftfe::oncvClass< ValueType, memorySpace > | |
| createAtomCenteredSphericalFunctionsForDensities() | dftfe::oncvClass< ValueType, memorySpace > | private |
| createAtomCenteredSphericalFunctionsForLocalPotential() | dftfe::oncvClass< ValueType, memorySpace > | private |
| createAtomCenteredSphericalFunctionsForProjectors() | dftfe::oncvClass< ValueType, memorySpace > | private |
| d_atomicCoreDensityVector | dftfe::oncvClass< ValueType, memorySpace > | private |
| d_atomicLocalPotVector | dftfe::oncvClass< ValueType, memorySpace > | private |
| d_atomicNonLocalPseudoPotentialConstants | dftfe::oncvClass< ValueType, memorySpace > | private |
| d_atomicProjectorFnsContainer | dftfe::oncvClass< ValueType, memorySpace > | private |
| d_atomicProjectorFnsMap | dftfe::oncvClass< ValueType, memorySpace > | private |
| d_atomicProjectorFnsVector | dftfe::oncvClass< ValueType, memorySpace > | private |
| d_atomicValenceDensityVector | dftfe::oncvClass< ValueType, memorySpace > | private |
| d_atomicWaveFnsVector | dftfe::oncvClass< ValueType, memorySpace > | private |
| d_atomLocations | dftfe::oncvClass< ValueType, memorySpace > | private |
| d_atomTypeAtributes | dftfe::oncvClass< ValueType, memorySpace > | private |
| d_atomTypeCoreFlagMap | dftfe::oncvClass< ValueType, memorySpace > | private |
| d_atomTypes | dftfe::oncvClass< ValueType, memorySpace > | private |
| d_atomTypesList | dftfe::oncvClass< ValueType, memorySpace > | private |
| d_BasisOperatorHostPtr | dftfe::oncvClass< ValueType, memorySpace > | private |
| d_BLASWrapperHostPtr | dftfe::oncvClass< ValueType, memorySpace > | private |
| d_couplingMatrixEntries | dftfe::oncvClass< ValueType, memorySpace > | private |
| d_couplingMatrixEntriesSinglePrec | dftfe::oncvClass< ValueType, memorySpace > | private |
| d_densityQuadratureId | dftfe::oncvClass< ValueType, memorySpace > | private |
| d_densityQuadratureIdElectro | dftfe::oncvClass< ValueType, memorySpace > | private |
| d_dftfeScratchFolderName | dftfe::oncvClass< ValueType, memorySpace > | private |
| d_excManagerPtr | dftfe::oncvClass< ValueType, memorySpace > | private |
| d_floatingNuclearCharges | dftfe::oncvClass< ValueType, memorySpace > | private |
| d_HamiltonianCouplingMatrixEntriesUpdated | dftfe::oncvClass< ValueType, memorySpace > | private |
| d_HamiltonianCouplingMatrixSinglePrecEntriesUpdated | dftfe::oncvClass< ValueType, memorySpace > | private |
| d_imageIds | dftfe::oncvClass< ValueType, memorySpace > | private |
| d_imagePositions | dftfe::oncvClass< ValueType, memorySpace > | private |
| d_localContributionQuadratureId | dftfe::oncvClass< ValueType, memorySpace > | private |
| d_memoryOptMode | dftfe::oncvClass< ValueType, memorySpace > | private |
| d_mpiCommParent | dftfe::oncvClass< ValueType, memorySpace > | private |
| d_nlpspQuadratureId | dftfe::oncvClass< ValueType, memorySpace > | private |
| d_nOMPThreads | dftfe::oncvClass< ValueType, memorySpace > | private |
| d_nonLocalOperator | dftfe::oncvClass< ValueType, memorySpace > | private |
| d_nonLocalOperatorSinglePrec | dftfe::oncvClass< ValueType, memorySpace > | private |
| d_nonLocalPseudoPotentialConstants | dftfe::oncvClass< ValueType, memorySpace > | private |
| d_nuclearChargeQuadratureIdElectro | dftfe::oncvClass< ValueType, memorySpace > | private |
| d_numEigenValues | dftfe::oncvClass< ValueType, memorySpace > | private |
| d_reproducible_output | dftfe::oncvClass< ValueType, memorySpace > | private |
| d_singlePrecNonLocalOperator | dftfe::oncvClass< ValueType, memorySpace > | private |
| d_sparsityPatternQuadratureId | dftfe::oncvClass< ValueType, memorySpace > | private |
| d_this_mpi_process | dftfe::oncvClass< ValueType, memorySpace > | private |
| d_useDevice | dftfe::oncvClass< ValueType, memorySpace > | private |
| d_verbosity | dftfe::oncvClass< ValueType, memorySpace > | private |
| getAtomIdInCurrentProcessor(dftfe::uInt iAtom) | dftfe::oncvClass< ValueType, memorySpace > | |
| getCouplingMatrix(CouplingType couplingtype=CouplingType::HamiltonianEntries) | dftfe::oncvClass< ValueType, memorySpace > | virtual |
| getCouplingMatrixSinglePrec(CouplingType couplingtype=CouplingType::HamiltonianEntries) | dftfe::oncvClass< ValueType, memorySpace > | virtual |
| getNonLocalOperator() | dftfe::oncvClass< ValueType, memorySpace > | virtual |
| getNonLocalOperatorSinglePrec() | dftfe::oncvClass< ValueType, memorySpace > | virtual |
| getRadialCoreDensity(dftfe::uInt Znum, double rad, std::vector< double > &Val) | dftfe::oncvClass< ValueType, memorySpace > | |
| getRadialCoreDensity(dftfe::uInt Znum, double rad) | dftfe::oncvClass< ValueType, memorySpace > | |
| getRadialLocalPseudo(dftfe::uInt Znum, double rad) | dftfe::oncvClass< ValueType, memorySpace > | |
| getRadialValenceDensity(dftfe::uInt Znum, double rad, std::vector< double > &Val) | dftfe::oncvClass< ValueType, memorySpace > | |
| getRadialValenceDensity(dftfe::uInt Znum, double rad) | dftfe::oncvClass< ValueType, memorySpace > | |
| getRmaxCoreDensity(dftfe::uInt Znum) | dftfe::oncvClass< ValueType, memorySpace > | |
| getRmaxLocalPot(dftfe::uInt Znum) | dftfe::oncvClass< ValueType, memorySpace > | |
| getRmaxValenceDensity(dftfe::uInt Znum) | dftfe::oncvClass< ValueType, memorySpace > | |
| getTotalNumberOfAtomsInCurrentProcessor() | dftfe::oncvClass< ValueType, memorySpace > | |
| getTotalNumberOfSphericalFunctionsForAtomId(dftfe::uInt atomId) | dftfe::oncvClass< ValueType, memorySpace > | |
| initialise(std::shared_ptr< dftfe::basis::FEBasisOperations< ValueType, double, dftfe::utils::MemorySpace::HOST > > basisOperationsHostPtr, std::shared_ptr< dftfe::linearAlgebra::BLASWrapper< dftfe::utils::MemorySpace::HOST > > BLASWrapperPtrHost, dftfe::uInt densityQuadratureId, dftfe::uInt localContributionQuadratureId, dftfe::uInt sparsityPatternQuadratureId, dftfe::uInt nlpspQuadratureId, dftfe::uInt densityQuadratureIdElectro, std::shared_ptr< excManager< memorySpace > > excFunctionalPtr, const std::vector< std::vector< double > > &atomLocations, dftfe::uInt numEigenValues, const bool singlePrecNonLocalOperator, const bool computeSphericalFnTimesXNonLocalOperator=true) | dftfe::oncvClass< ValueType, memorySpace > | |
| initialiseNonLocalContribution(const std::vector< std::vector< double > > &atomLocations, const std::vector< dftfe::Int > &imageIds, const std::vector< std::vector< double > > &periodicCoords, const std::vector< double > &kPointWeights, const std::vector< double > &kPointCoordinates, const bool updateNonlocalSparsity) | dftfe::oncvClass< ValueType, memorySpace > | |
| initialiseNonLocalContribution(const std::vector< std::vector< double > > &atomLocations, const std::vector< dftfe::Int > &imageIds, const std::vector< std::vector< double > > &periodicCoords, const std::vector< double > &kPointWeights, const std::vector< double > &kPointCoordinates, const bool updateNonlocalSparsity, const std::map< dftfe::uInt, std::vector< dftfe::Int > > &sparsityPattern, const std::vector< std::vector< dealii::CellId > > &elementIdsInAtomCompactSupport, const std::vector< std::vector< dftfe::uInt > > &elementIndexesInAtomCompactSupport, const std::vector< dftfe::uInt > &atomIdsInCurrentProcess, dftfe::uInt numberElements) | dftfe::oncvClass< ValueType, memorySpace > | |
| initLocalPotential() | dftfe::oncvClass< ValueType, memorySpace > | |
| oncvClass(const MPI_Comm &mpi_comm_parent, const std::string &scratchFolderName, const std::set< dftfe::uInt > &atomTypes, const bool floatingNuclearCharges, const dftfe::uInt nOMPThreads, const std::map< dftfe::uInt, dftfe::uInt > &atomAttributes, const bool reproducibleOutput, const dftfe::Int verbosity, const bool useDevice, const bool memOptMode) | dftfe::oncvClass< ValueType, memorySpace > | |
| pcout | dftfe::oncvClass< ValueType, memorySpace > | private |
| setImageCoordinates(const std::vector< std::vector< double > > &atomLocations, const std::vector< dftfe::Int > &imageIds, const std::vector< std::vector< double > > &periodicCoords, std::vector< dftfe::uInt > &imageIdsTemp, std::vector< double > &imageCoordsTemp) | dftfe::oncvClass< ValueType, memorySpace > | private |
| ~pseudopotentialBaseClass() | dftfe::pseudopotentialBaseClass< ValueType, memorySpace > | inlinevirtual |
1.13.2