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

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

applyWaveFunctionDependentFuncDerWrtPsi(const dftfe::linearAlgebra::MultiVector< dataTypes::number, memorySpace > &src, dftfe::linearAlgebra::MultiVector< dataTypes::number, memorySpace > &dst, const dftfe::uInt inputVecSize, const dftfe::uInt kPointIndex, const dftfe::uInt spinIndex) overridedftfe::ExcDFTPlusU< ValueType, memorySpace >virtual
applyWaveFunctionDependentFuncDerWrtPsi(const dftfe::linearAlgebra::MultiVector< typename dataTypes::singlePrecType< ValueType >::type, memorySpace > &src, dftfe::linearAlgebra::MultiVector< typename dataTypes::singlePrecType< ValueType >::type, memorySpace > &dst, const dftfe::uInt inputVecSize, const dftfe::uInt kPointIndex, const dftfe::uInt spinIndex) overridedftfe::ExcDFTPlusU< ValueType, memorySpace >
dftfe::ExcSSDFunctionalBaseClass::applyWaveFunctionDependentFuncDerWrtPsi(const dftfe::linearAlgebra::MultiVector< dataTypes::numberFP32, memorySpace > &src, dftfe::linearAlgebra::MultiVector< dataTypes::numberFP32, memorySpace > &dst, const dftfe::uInt inputVecSize, const dftfe::uInt kPointIndex, const dftfe::uInt spinIndex)=0dftfe::ExcSSDFunctionalBaseClass< memorySpace >pure virtual
checkInputOutputDataAttributesConsistency(const std::vector< xcRemainderOutputDataAttributes > &outputDataAttributes) const overridedftfe::ExcDFTPlusU< ValueType, memorySpace >virtual
computeRhoTauDependentXCData(AuxDensityMatrix< memorySpace > &auxDensityMatrix, const std::pair< dftfe::uInt, dftfe::uInt > &quadIndexRange, std::unordered_map< xcRemainderOutputDataAttributes, std::vector< double > > &xDataOut, std::unordered_map< xcRemainderOutputDataAttributes, std::vector< double > > &cDataout) const overridedftfe::ExcDFTPlusU< ValueType, memorySpace >virtual
computeWaveFunctionDependentExcEnergy(const std::shared_ptr< AuxDensityMatrix< memorySpace > > &auxDensityMatrix, const std::vector< double > &kPointWeights) overridedftfe::ExcDFTPlusU< ValueType, memorySpace >virtual
d_densityDescriptorAttributesListdftfe::ExcSSDFunctionalBaseClass< memorySpace >protected
d_densityFamilyTypedftfe::ExcSSDFunctionalBaseClass< memorySpace >protected
d_ExcFamilyTypedftfe::ExcSSDFunctionalBaseClass< memorySpace >protected
d_excSSDObjPtrdftfe::ExcDFTPlusU< ValueType, memorySpace >
d_hubbardClassPtrdftfe::ExcDFTPlusU< ValueType, memorySpace >
d_wfcDescriptorAttributesListdftfe::ExcSSDFunctionalBaseClass< memorySpace >protected
ExcDFTPlusU(std::shared_ptr< ExcSSDFunctionalBaseClass< memorySpace > > excSSDObjPtr, dftfe::uInt numSpins)dftfe::ExcDFTPlusU< ValueType, memorySpace >
ExcSSDFunctionalBaseClass(const ExcFamilyType excFamType, const densityFamilyType densityFamType, const std::vector< DensityDescriptorDataAttributes > &densityDescriptorAttributesList)dftfe::ExcSSDFunctionalBaseClass< memorySpace >
ExcSSDFunctionalBaseClass(const ExcFamilyType excFamType, const densityFamilyType densityFamType, const std::vector< DensityDescriptorDataAttributes > &densityDescriptorAttributesList, const std::vector< WfcDescriptorDataAttributes > &wfcDescriptorAttributesList)dftfe::ExcSSDFunctionalBaseClass< memorySpace >
getDensityBasedFamilyType() constdftfe::ExcSSDFunctionalBaseClass< memorySpace >
getDensityDescriptorAttributesList() constdftfe::ExcSSDFunctionalBaseClass< memorySpace >
getExcFamilyType() constdftfe::ExcSSDFunctionalBaseClass< memorySpace >
getExpectationOfWaveFunctionDependentExcFuncDerWrtPsi() overridedftfe::ExcDFTPlusU< ValueType, memorySpace >virtual
getHubbardClass()dftfe::ExcDFTPlusU< ValueType, memorySpace >
getWaveFunctionDependentExcEnergy() overridedftfe::ExcDFTPlusU< ValueType, memorySpace >virtual
initialiseHubbardClass(const MPI_Comm &mpi_comm_parent, const MPI_Comm &mpi_comm_domain, const MPI_Comm &mpi_comm_interPool, const MPI_Comm &mpi_comm_interBandGroup, std::shared_ptr< dftfe::basis::FEBasisOperations< ValueType, double, memorySpace > > basisOperationsMemPtr, std::shared_ptr< dftfe::basis::FEBasisOperations< ValueType, double, dftfe::utils::MemorySpace::HOST > > basisOperationsHostPtr, std::shared_ptr< dftfe::linearAlgebra::BLASWrapper< memorySpace > > BLASWrapperMemPtr, std::shared_ptr< dftfe::linearAlgebra::BLASWrapper< dftfe::utils::MemorySpace::HOST > > BLASWrapperHostPtr, const dftfe::uInt matrixFreeVectorComponent, const dftfe::uInt densityQuadratureId, const dftfe::uInt sparsityPatternQuadratureId, const dftfe::uInt numberWaveFunctions, const dftfe::uInt numSpins, const dftParameters &dftParam, const std::string &scratchFolderName, const bool singlePrecNonLocalOperator, const bool updateNonlocalSparsity, const std::vector< std::vector< double > > &atomLocations, const std::vector< std::vector< double > > &atomLocationsFrac, const std::vector< dftfe::Int > &imageIds, const std::vector< std::vector< double > > &imagePositions, std::vector< double > &kPointCoordinates, const std::vector< double > &kPointWeights, const std::vector< std::vector< double > > &domainBoundaries)dftfe::ExcDFTPlusU< ValueType, memorySpace >
reinitKPointDependentVariables(dftfe::uInt kPointIndex) overridedftfe::ExcDFTPlusU< ValueType, memorySpace >virtual
updateWaveFunctionDependentFuncDerWrtPsi(const std::shared_ptr< AuxDensityMatrix< memorySpace > > &auxDensityMatrixPtr, const std::vector< double > &kPointWeights) overridedftfe::ExcDFTPlusU< ValueType, memorySpace >virtual
~ExcDFTPlusU()dftfe::ExcDFTPlusU< ValueType, memorySpace >
~ExcSSDFunctionalBaseClass()dftfe::ExcSSDFunctionalBaseClass< memorySpace >virtual
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