DFT-FE 1.3.0-pre
Density Functional Theory With Finite-Elements
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dftfe::excTauMGGAClass< memorySpace > Member List

This is the complete list of members for dftfe::excTauMGGAClass< 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::excTauMGGAClass< memorySpace >virtual
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) overridedftfe::excTauMGGAClass< memorySpace >virtual
checkInputOutputDataAttributesConsistency(const std::vector< xcRemainderOutputDataAttributes > &outputDataAttributes) const overridedftfe::excTauMGGAClass< memorySpace >virtual
computeRhoTauDependentXCData(AuxDensityMatrix< memorySpace > &auxDensityMatrix, const std::pair< dftfe::uInt, dftfe::uInt > &quadIndexRange, std::unordered_map< xcRemainderOutputDataAttributes, dftfe::utils::MemoryStorage< double, dftfe::utils::MemorySpace::HOST > > &xDataOut, std::unordered_map< xcRemainderOutputDataAttributes, dftfe::utils::MemoryStorage< double, dftfe::utils::MemorySpace::HOST > > &cDataout) const overridedftfe::excTauMGGAClass< memorySpace >virtual
computeWaveFunctionDependentExcEnergy(const std::shared_ptr< AuxDensityMatrix< memorySpace > > &auxDensityMatrix, const std::vector< double > &kPointWeights) overridedftfe::excTauMGGAClass< memorySpace >virtual
d_densityDescriptorAttributesListdftfe::ExcSSDFunctionalBaseClass< memorySpace >protected
d_densityFamilyTypedftfe::ExcSSDFunctionalBaseClass< memorySpace >protected
d_enforceFHCCdftfe::excTauMGGAClass< memorySpace >private
d_enforceFHCXdftfe::excTauMGGAClass< memorySpace >private
d_ExcFamilyTypedftfe::ExcSSDFunctionalBaseClass< memorySpace >protected
d_funcCPtrdftfe::excTauMGGAClass< memorySpace >private
d_funcXPtrdftfe::excTauMGGAClass< memorySpace >private
d_tauNeededCdftfe::excTauMGGAClass< memorySpace >private
d_tauNeededXdftfe::excTauMGGAClass< memorySpace >private
d_useLibxcdftfe::excTauMGGAClass< memorySpace >private
d_wfcDescriptorAttributesListdftfe::ExcSSDFunctionalBaseClass< memorySpace >protected
d_XCTypedftfe::excTauMGGAClass< memorySpace >private
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 >
excTauMGGAClass(std::shared_ptr< xc_func_type > &funcXPtr, std::shared_ptr< xc_func_type > &funcCPtr, const bool useLibXC, std::string XCType)dftfe::excTauMGGAClass< memorySpace >
excTauMGGAClass(std::shared_ptr< xc_func_type > &funcXPtr, std::shared_ptr< xc_func_type > &funcCPtr, std::string modelXCInputFile, const bool useLibXC, std::string XCType)dftfe::excTauMGGAClass< memorySpace >
getDensityBasedFamilyType() constdftfe::ExcSSDFunctionalBaseClass< memorySpace >
getDensityDescriptorAttributesList() constdftfe::ExcSSDFunctionalBaseClass< memorySpace >
getExcFamilyType() constdftfe::ExcSSDFunctionalBaseClass< memorySpace >
getExpectationOfWaveFunctionDependentExcFuncDerWrtPsi() overridedftfe::excTauMGGAClass< memorySpace >virtual
getWaveFunctionDependentExcEnergy() overridedftfe::excTauMGGAClass< memorySpace >virtual
reinitKPointDependentVariables(dftfe::uInt kPointIndex) overridedftfe::excTauMGGAClass< memorySpace >virtual
updateWaveFunctionDependentFuncDerWrtPsi(const std::shared_ptr< AuxDensityMatrix< memorySpace > > &auxDensityMatrixPtr, const std::vector< double > &kPointWeights) overridedftfe::excTauMGGAClass< memorySpace >virtual
~ExcSSDFunctionalBaseClass()dftfe::ExcSSDFunctionalBaseClass< memorySpace >virtual
~excTauMGGAClass()dftfe::excTauMGGAClass< memorySpace >
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