DFT-FE 1.1.0-pre
Density Functional Theory With Finite-Elements
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dftfe::AuxDensityMatrixAtomicBasis< memorySpace > Member List

This is the complete list of members for dftfe::AuxDensityMatrixAtomicBasis< memorySpace >, including all inherited members.

applyLocalOperations(const std::vector< double > &quadpts, std::unordered_map< DensityDescriptorDataAttributes, std::vector< double > > &densityData) overridedftfe::AuxDensityMatrixAtomicBasis< memorySpace >virtual
d_atomicBasisDatadftfe::AuxDensityMatrixAtomicBasis< memorySpace >private
d_atomicBasisPtrdftfe::AuxDensityMatrixAtomicBasis< memorySpace >private
d_basisWFCInnerProductsdftfe::AuxDensityMatrixAtomicBasis< memorySpace >private
d_DMdftfe::AuxDensityMatrixAtomicBasis< memorySpace >private
d_fValuesdftfe::AuxDensityMatrixAtomicBasis< memorySpace >private
d_iSpindftfe::AuxDensityMatrixAtomicBasis< memorySpace >private
d_maxDerOrderdftfe::AuxDensityMatrixAtomicBasis< memorySpace >private
d_nBasisdftfe::AuxDensityMatrixAtomicBasis< memorySpace >private
d_nQuaddftfe::AuxDensityMatrixAtomicBasis< memorySpace >private
d_nSpindftfe::AuxDensityMatrixAtomicBasis< memorySpace >private
d_nWFCdftfe::AuxDensityMatrixAtomicBasis< memorySpace >private
d_SMatrixdftfe::AuxDensityMatrixAtomicBasis< memorySpace >private
d_SMatrixInvdftfe::AuxDensityMatrixAtomicBasis< memorySpace >private
evalOverlapMatrixEnd(const MPI_Comm &mpiComm) overridedftfe::AuxDensityMatrixAtomicBasis< memorySpace >virtual
evalOverlapMatrixInv()dftfe::AuxDensityMatrixAtomicBasis< memorySpace >private
evalOverlapMatrixStart(const std::vector< double > &quadpts, const std::vector< double > &quadWt) overridedftfe::AuxDensityMatrixAtomicBasis< memorySpace >virtual
getOverlapMatrixInv()dftfe::AuxDensityMatrixAtomicBasis< memorySpace >private
projectDensityEnd(const MPI_Comm &mpiComm) overridedftfe::AuxDensityMatrixAtomicBasis< memorySpace >virtual
projectDensityMatrixEnd(const MPI_Comm &mpiComm) overridedftfe::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) overridedftfe::AuxDensityMatrixAtomicBasis< memorySpace >virtual
projectDensityStart(const std::unordered_map< std::string, std::vector< double > > &projectionInputs) overridedftfe::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 >