DFT-EFE
 
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dftefe::ksdft::ExchangeCorrelationFE< ValueTypeBasisData, ValueTypeBasisCoeff, memorySpace, dim > Member List

This is the complete list of members for dftefe::ksdft::ExchangeCorrelationFE< ValueTypeBasisData, ValueTypeBasisCoeff, memorySpace, dim >, including all inherited members.

applyNonLocal(linearAlgebra::MultiVector< ValueTypeBasisCoeff, memorySpace > &X, linearAlgebra::MultiVector< ValueTypeBasisCoeff, memorySpace > &Y, bool updateGhostX, bool updateGhostY) const overridedftefe::ksdft::ExchangeCorrelationFE< ValueTypeBasisData, ValueTypeBasisCoeff, memorySpace, dim >
Hamiltonian< ValueTypeBasisData, memorySpace >::applyNonLocal(linearAlgebra::MultiVector< ValueTypeBasisData, memorySpace > &X, linearAlgebra::MultiVector< ValueTypeBasisData, memorySpace > &Y, bool updateGhostX, bool updateGhostY) const=0dftefe::ksdft::Hamiltonian< ValueTypeBasisData, memorySpace >pure virtual
d_cellBlockSizedftefe::ksdft::ExchangeCorrelationFE< ValueTypeBasisData, ValueTypeBasisCoeff, memorySpace, dim >private
d_coreCorrectionGradUPFdftefe::ksdft::ExchangeCorrelationFE< ValueTypeBasisData, ValueTypeBasisCoeff, memorySpace, dim >private
d_coreCorrectionUPFdftefe::ksdft::ExchangeCorrelationFE< ValueTypeBasisData, ValueTypeBasisCoeff, memorySpace, dim >private
d_derExcWithSigmaTimesGradRhoQuadMemspacedftefe::ksdft::ExchangeCorrelationFE< ValueTypeBasisData, ValueTypeBasisCoeff, memorySpace, dim >private
d_energydftefe::ksdft::ExchangeCorrelationFE< ValueTypeBasisData, ValueTypeBasisCoeff, memorySpace, dim >private
d_excManagerdftefe::ksdft::ExchangeCorrelationFE< ValueTypeBasisData, ValueTypeBasisCoeff, memorySpace, dim >private
d_feBasisDataStoragedftefe::ksdft::ExchangeCorrelationFE< ValueTypeBasisData, ValueTypeBasisCoeff, memorySpace, dim >private
d_feBasisDofHandlerdftefe::ksdft::ExchangeCorrelationFE< ValueTypeBasisData, ValueTypeBasisCoeff, memorySpace, dim >private
d_feBasisOpdftefe::ksdft::ExchangeCorrelationFE< ValueTypeBasisData, ValueTypeBasisCoeff, memorySpace, dim >private
d_linAlgOpContextdftefe::ksdft::ExchangeCorrelationFE< ValueTypeBasisData, ValueTypeBasisCoeff, memorySpace, dim >private
d_sigmaGradRhoCellStoragedftefe::ksdft::ExchangeCorrelationFE< ValueTypeBasisData, ValueTypeBasisCoeff, memorySpace, dim >mutableprivate
d_xcPotentialQuadMemspacedftefe::ksdft::ExchangeCorrelationFE< ValueTypeBasisData, ValueTypeBasisCoeff, memorySpace, dim >private
evalEnergy(RDM1< ValueType, memorySpace > &rdm1, const utils::mpi::MPIComm &comm)dftefe::ksdft::ExchangeCorrelationFE< ValueTypeBasisData, ValueTypeBasisCoeff, memorySpace, dim >
ExchangeCorrelationFE(const std::string xcType, RDM1< ValueType, memorySpace > &rdm1, std::shared_ptr< linearAlgebra::LinAlgOpContext< memorySpace > > linAlgOpContext, const size_type cellBlockSize)dftefe::ksdft::ExchangeCorrelationFE< ValueTypeBasisData, ValueTypeBasisCoeff, memorySpace, dim >
ExchangeCorrelationFE(const std::string xcType, RDM1< ValueType, memorySpace > &rdm1, std::shared_ptr< linearAlgebra::LinAlgOpContext< memorySpace > > linAlgOpContext, const size_type cellBlockSize, std::shared_ptr< const atoms::AtomSphericalDataContainer > atomSphericalDataContainerPSP, const std::vector< std::string > &atomSymbolVec, const std::vector< utils::Point > &atomCoordinates)dftefe::ksdft::ExchangeCorrelationFE< ValueTypeBasisData, ValueTypeBasisCoeff, memorySpace, dim >
getEnergy() const overridedftefe::ksdft::ExchangeCorrelationFE< ValueTypeBasisData, ValueTypeBasisCoeff, memorySpace, dim >virtual
getExcFamilyType() constdftefe::ksdft::ExchangeCorrelationFE< ValueTypeBasisData, ValueTypeBasisCoeff, memorySpace, dim >
getFunctionalDerivative() constdftefe::ksdft::ExchangeCorrelationFE< ValueTypeBasisData, ValueTypeBasisCoeff, memorySpace, dim >
getHamiltonianFEBasisOperations() constdftefe::ksdft::ExchangeCorrelationFE< ValueTypeBasisData, ValueTypeBasisCoeff, memorySpace, dim >
getLinAlgOpContext() constdftefe::ksdft::ExchangeCorrelationFE< ValueTypeBasisData, ValueTypeBasisCoeff, memorySpace, dim >
getLocal(Storage &cellWiseStorage) const overridedftefe::ksdft::ExchangeCorrelationFE< ValueTypeBasisData, ValueTypeBasisCoeff, memorySpace, dim >
Hamiltonian< ValueTypeBasisData, memorySpace >::getLocal(utils::MemoryStorage< ValueTypeBasisData, memorySpace > &cellWiseStorage) const=0dftefe::ksdft::Hamiltonian< ValueTypeBasisData, memorySpace >pure virtual
hasLocalComponent() const overridedftefe::ksdft::ExchangeCorrelationFE< ValueTypeBasisData, ValueTypeBasisCoeff, memorySpace, dim >virtual
hasNonLocalComponent() const overridedftefe::ksdft::ExchangeCorrelationFE< ValueTypeBasisData, ValueTypeBasisCoeff, memorySpace, dim >virtual
RealType typedefdftefe::ksdft::ExchangeCorrelationFE< ValueTypeBasisData, ValueTypeBasisCoeff, memorySpace, dim >
reinitBasis(RDM1< ValueType, memorySpace > &rdm1)dftefe::ksdft::ExchangeCorrelationFE< ValueTypeBasisData, ValueTypeBasisCoeff, memorySpace, dim >
reinitField(RDM1< ValueType, memorySpace > &rdm1)dftefe::ksdft::ExchangeCorrelationFE< ValueTypeBasisData, ValueTypeBasisCoeff, memorySpace, dim >
Storage typedefdftefe::ksdft::ExchangeCorrelationFE< ValueTypeBasisData, ValueTypeBasisCoeff, memorySpace, dim >
ValueType typedefdftefe::ksdft::ExchangeCorrelationFE< ValueTypeBasisData, ValueTypeBasisCoeff, memorySpace, dim >
~Energy()=defaultdftefe::ksdft::Energy< linearAlgebra::blasLapack::real_type< linearAlgebra::blasLapack::scalar_type< ValueTypeBasisData, ValueTypeBasisCoeff > > >virtual
~ExchangeCorrelationFE()dftefe::ksdft::ExchangeCorrelationFE< ValueTypeBasisData, ValueTypeBasisCoeff, memorySpace, dim >
~Hamiltonian()=defaultdftefe::ksdft::Hamiltonian< ValueTypeBasisData, memorySpace >virtual