applyLocalOperations(const std::vector< double > &quadpts, std::unordered_map< DensityDescriptorDataAttributes, std::vector< double > > &densityData) override | dftfe::AuxDensityMatrixAtomicBasis< memorySpace > | virtual |
d_atomicBasisData | dftfe::AuxDensityMatrixAtomicBasis< memorySpace > | private |
d_atomicBasisPtr | dftfe::AuxDensityMatrixAtomicBasis< memorySpace > | private |
d_basisWFCInnerProducts | dftfe::AuxDensityMatrixAtomicBasis< memorySpace > | private |
d_DM | dftfe::AuxDensityMatrixAtomicBasis< memorySpace > | private |
d_fValues | dftfe::AuxDensityMatrixAtomicBasis< memorySpace > | private |
d_iSpin | dftfe::AuxDensityMatrixAtomicBasis< memorySpace > | private |
d_maxDerOrder | dftfe::AuxDensityMatrixAtomicBasis< memorySpace > | private |
d_nBasis | dftfe::AuxDensityMatrixAtomicBasis< memorySpace > | private |
d_nQuad | dftfe::AuxDensityMatrixAtomicBasis< memorySpace > | private |
d_nSpin | dftfe::AuxDensityMatrixAtomicBasis< memorySpace > | private |
d_nWFC | dftfe::AuxDensityMatrixAtomicBasis< memorySpace > | private |
d_SMatrix | dftfe::AuxDensityMatrixAtomicBasis< memorySpace > | private |
d_SMatrixInv | dftfe::AuxDensityMatrixAtomicBasis< memorySpace > | private |
evalOverlapMatrixEnd(const MPI_Comm &mpiComm) override | dftfe::AuxDensityMatrixAtomicBasis< memorySpace > | virtual |
evalOverlapMatrixInv() | dftfe::AuxDensityMatrixAtomicBasis< memorySpace > | private |
evalOverlapMatrixStart(const std::vector< double > &quadpts, const std::vector< double > &quadWt) override | dftfe::AuxDensityMatrixAtomicBasis< memorySpace > | virtual |
getOverlapMatrixInv() | dftfe::AuxDensityMatrixAtomicBasis< memorySpace > | private |
projectDensityEnd(const MPI_Comm &mpiComm) override | dftfe::AuxDensityMatrixAtomicBasis< memorySpace > | virtual |
projectDensityMatrixEnd(const MPI_Comm &mpiComm) override | dftfe::AuxDensityMatrixAtomicBasis< memorySpace > | virtual |
projectDensityMatrixStart(const std::unordered_map< std::string, std::vector< dataTypes::number > > &projectionInputsDataType, const std::unordered_map< std::string, std::vector< double > > &projectionInputsReal, const int iSpin) override | dftfe::AuxDensityMatrixAtomicBasis< memorySpace > | virtual |
projectDensityStart(const std::unordered_map< std::string, std::vector< double > > &projectionInputs) override | dftfe::AuxDensityMatrixAtomicBasis< memorySpace > | virtual |
reinit(const AtomicBasis::BasisType basisType, const std::vector< std::pair< std::string, std::vector< double > > > &atomCoords, const std::unordered_map< std::string, std::string > &atomBasisFileNames, const int nSpin, const int maxDerOrder) | dftfe::AuxDensityMatrixAtomicBasis< memorySpace > | |