applyLocalOperations(const std::vector< double > &points, std::unordered_map< DensityDescriptorDataAttributes, std::vector< double > > &densityData) override | dftfe::AuxDensityMatrixFE< memorySpace > | virtual |
d_densityValsSpinDownAllQuads | dftfe::AuxDensityMatrixFE< memorySpace > | private |
d_densityValsSpinUpAllQuads | dftfe::AuxDensityMatrixFE< memorySpace > | private |
d_densityValsTotalAllQuads | dftfe::AuxDensityMatrixFE< memorySpace > | private |
d_eigenVectorsFlattenedMemSpacePtr | dftfe::AuxDensityMatrixFE< memorySpace > | private |
d_fractionalOccupancies | dftfe::AuxDensityMatrixFE< memorySpace > | private |
d_gradDensityValsSpinDownAllQuads | dftfe::AuxDensityMatrixFE< memorySpace > | private |
d_gradDensityValsSpinUpAllQuads | dftfe::AuxDensityMatrixFE< memorySpace > | private |
d_quadPointsAll | dftfe::AuxDensityMatrixFE< memorySpace > | private |
d_quadWeightsAll | dftfe::AuxDensityMatrixFE< memorySpace > | private |
evalOverlapMatrixEnd(const MPI_Comm &mpiComm) override | dftfe::AuxDensityMatrixFE< memorySpace > | virtual |
evalOverlapMatrixStart(const std::vector< double > &quadpts, const std::vector< double > &quadWt) override | dftfe::AuxDensityMatrixFE< memorySpace > | virtual |
getDensityMatrixComponents_occupancies() const | dftfe::AuxDensityMatrixFE< memorySpace > | |
getDensityMatrixComponents_wavefunctions() const | dftfe::AuxDensityMatrixFE< memorySpace > | |
projectDensityEnd(const MPI_Comm &mpiComm) override | dftfe::AuxDensityMatrixFE< memorySpace > | virtual |
projectDensityMatrixEnd(const MPI_Comm &mpiComm) override | dftfe::AuxDensityMatrixFE< 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::AuxDensityMatrixFE< memorySpace > | virtual |
projectDensityStart(const std::unordered_map< std::string, std::vector< double > > &projectionInputs) override | dftfe::AuxDensityMatrixFE< memorySpace > | virtual |
setDensityMatrixComponents(const dftfe::utils::MemoryStorage< dataTypes::number, memorySpace > &eigenVectorsFlattenedMemSpace, const std::vector< std::vector< double > > &fractionalOccupancies) | dftfe::AuxDensityMatrixFE< memorySpace > | |