| computeNonlocalPseudoPotentialConstants() | dftfe::oncvClass< ValueType, memorySpace > | private |
| coreNuclearDensityPresent(unsigned int 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(unsigned int iAtom) | dftfe::oncvClass< ValueType, memorySpace > | |
| getCouplingMatrix() | dftfe::oncvClass< ValueType, memorySpace > | |
| getCouplingMatrixSinglePrec() | dftfe::oncvClass< ValueType, memorySpace > | |
| getNonLocalOperator() | dftfe::oncvClass< ValueType, memorySpace > | |
| getNonLocalOperatorSinglePrec() | dftfe::oncvClass< ValueType, memorySpace > | |
| getRadialCoreDensity(unsigned int Znum, double rad, std::vector< double > &Val) | dftfe::oncvClass< ValueType, memorySpace > | |
| getRadialCoreDensity(unsigned int Znum, double rad) | dftfe::oncvClass< ValueType, memorySpace > | |
| getRadialLocalPseudo(unsigned int Znum, double rad) | dftfe::oncvClass< ValueType, memorySpace > | |
| getRadialValenceDensity(unsigned int Znum, double rad, std::vector< double > &Val) | dftfe::oncvClass< ValueType, memorySpace > | |
| getRadialValenceDensity(unsigned int Znum, double rad) | dftfe::oncvClass< ValueType, memorySpace > | |
| getRmaxCoreDensity(unsigned int Znum) | dftfe::oncvClass< ValueType, memorySpace > | |
| getRmaxLocalPot(unsigned int Znum) | dftfe::oncvClass< ValueType, memorySpace > | |
| getRmaxValenceDensity(unsigned int Znum) | dftfe::oncvClass< ValueType, memorySpace > | |
| getTotalNumberOfAtomsInCurrentProcessor() | dftfe::oncvClass< ValueType, memorySpace > | |
| getTotalNumberOfSphericalFunctionsForAtomId(unsigned int 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, unsigned int densityQuadratureId, unsigned int localContributionQuadratureId, unsigned int sparsityPatternQuadratureId, unsigned int nlpspQuadratureId, unsigned int densityQuadratureIdElectro, std::shared_ptr< excManager< memorySpace > > excFunctionalPtr, const std::vector< std::vector< double > > &atomLocations, unsigned int numEigenValues, const bool singlePrecNonLocalOperator, const bool computeSphericalFnTimesXNonLocalOperator=true) | dftfe::oncvClass< ValueType, memorySpace > | |
| initialiseNonLocalContribution(const std::vector< std::vector< double > > &atomLocations, const std::vector< 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< 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< unsigned int, std::vector< int > > &sparsityPattern, const std::vector< std::vector< dealii::CellId > > &elementIdsInAtomCompactSupport, const std::vector< std::vector< unsigned int > > &elementIndexesInAtomCompactSupport, const std::vector< unsigned int > &atomIdsInCurrentProcess, unsigned int numberElements) | dftfe::oncvClass< ValueType, memorySpace > | |
| initLocalPotential() | dftfe::oncvClass< ValueType, memorySpace > | |
| oncvClass(const MPI_Comm &mpi_comm_parent, const std::string &scratchFolderName, const std::set< unsigned int > &atomTypes, const bool floatingNuclearCharges, const unsigned int nOMPThreads, const std::map< unsigned int, unsigned int > &atomAttributes, const bool reproducibleOutput, const 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< int > &imageIds, const std::vector< std::vector< double > > &periodicCoords, std::vector< unsigned int > &imageIdsTemp, std::vector< double > &imageCoordsTemp) | dftfe::oncvClass< ValueType, memorySpace > | private |
1.13.2