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 unsigned int inputVecSize, const unsigned int kPointIndex, const unsigned int spinIndex) override | dftfe::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 unsigned int inputVecSize, const unsigned int kPointIndex, const unsigned int spinIndex) override | dftfe::ExcDFTPlusU< ValueType, memorySpace > | |
| dftfe::ExcSSDFunctionalBaseClass::applyWaveFunctionDependentFuncDerWrtPsi(const dftfe::linearAlgebra::MultiVector< dataTypes::numberFP32, memorySpace > &src, dftfe::linearAlgebra::MultiVector< dataTypes::numberFP32, memorySpace > &dst, const unsigned int inputVecSize, const unsigned int kPointIndex, const unsigned int spinIndex)=0 | dftfe::ExcSSDFunctionalBaseClass< memorySpace > | pure virtual |
| checkInputOutputDataAttributesConsistency(const std::vector< xcRemainderOutputDataAttributes > &outputDataAttributes) const override | dftfe::ExcDFTPlusU< ValueType, memorySpace > | virtual |
| computeRhoTauDependentXCData(AuxDensityMatrix< memorySpace > &auxDensityMatrix, const std::vector< double > &quadPoints, std::unordered_map< xcRemainderOutputDataAttributes, std::vector< double > > &xDataOut, std::unordered_map< xcRemainderOutputDataAttributes, std::vector< double > > &cDataout) const override | dftfe::ExcDFTPlusU< ValueType, memorySpace > | virtual |
| computeWaveFunctionDependentExcEnergy(const std::shared_ptr< AuxDensityMatrix< memorySpace > > &auxDensityMatrix, const std::vector< double > &kPointWeights) override | dftfe::ExcDFTPlusU< ValueType, memorySpace > | virtual |
| d_densityDescriptorAttributesList | dftfe::ExcSSDFunctionalBaseClass< memorySpace > | protected |
| d_densityFamilyType | dftfe::ExcSSDFunctionalBaseClass< memorySpace > | protected |
| d_ExcFamilyType | dftfe::ExcSSDFunctionalBaseClass< memorySpace > | protected |
| d_excSSDObjPtr | dftfe::ExcDFTPlusU< ValueType, memorySpace > | |
| d_hubbardClassPtr | dftfe::ExcDFTPlusU< ValueType, memorySpace > | |
| ExcDFTPlusU(std::shared_ptr< ExcSSDFunctionalBaseClass< memorySpace > > excSSDObjPtr, unsigned int numSpins) | dftfe::ExcDFTPlusU< ValueType, memorySpace > | |
| ExcSSDFunctionalBaseClass(const ExcFamilyType excFamType, const densityFamilyType densityFamType, const std::vector< DensityDescriptorDataAttributes > &densityDescriptorAttributesList) | dftfe::ExcSSDFunctionalBaseClass< memorySpace > | |
| getDensityBasedFamilyType() const | dftfe::ExcSSDFunctionalBaseClass< memorySpace > | |
| getDensityDescriptorAttributesList() const | dftfe::ExcSSDFunctionalBaseClass< memorySpace > | |
| getExcFamilyType() const | dftfe::ExcSSDFunctionalBaseClass< memorySpace > | |
| getExpectationOfWaveFunctionDependentExcFuncDerWrtPsi() override | dftfe::ExcDFTPlusU< ValueType, memorySpace > | virtual |
| getHubbardClass() | dftfe::ExcDFTPlusU< ValueType, memorySpace > | |
| getWaveFunctionDependentExcEnergy() override | dftfe::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 unsigned int matrixFreeVectorComponent, const unsigned int densityQuadratureId, const unsigned int sparsityPatternQuadratureId, const unsigned int numberWaveFunctions, const unsigned int 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< 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(unsigned int kPointIndex) override | dftfe::ExcDFTPlusU< ValueType, memorySpace > | virtual |
| updateWaveFunctionDependentFuncDerWrtPsi(const std::shared_ptr< AuxDensityMatrix< memorySpace > > &auxDensityMatrixPtr, const std::vector< double > &kPointWeights) override | dftfe::ExcDFTPlusU< ValueType, memorySpace > | virtual |
| ~ExcDFTPlusU() | dftfe::ExcDFTPlusU< ValueType, memorySpace > | |
| ~ExcSSDFunctionalBaseClass() | dftfe::ExcSSDFunctionalBaseClass< memorySpace > | virtual |
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