DFT-FE 1.1.0-pre
Density Functional Theory With Finite-Elements
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This is the complete list of members for dftfe::excDensityGGAClass< 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::excDensityGGAClass< memorySpace > | virtual |
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) override | dftfe::excDensityGGAClass< memorySpace > | virtual |
checkInputOutputDataAttributesConsistency(const std::vector< xcRemainderOutputDataAttributes > &outputDataAttributes) const override | dftfe::excDensityGGAClass< 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::excDensityGGAClass< memorySpace > | virtual |
computeWaveFunctionDependentExcEnergy(const std::shared_ptr< AuxDensityMatrix< memorySpace > > &auxDensityMatrix, const std::vector< double > &kPointWeights) override | dftfe::excDensityGGAClass< memorySpace > | virtual |
d_densityDescriptorAttributesList | dftfe::ExcSSDFunctionalBaseClass< memorySpace > | protected |
d_densityFamilyType | dftfe::ExcSSDFunctionalBaseClass< memorySpace > | protected |
d_ExcFamilyType | dftfe::ExcSSDFunctionalBaseClass< memorySpace > | protected |
d_funcCPtr | dftfe::excDensityGGAClass< memorySpace > | private |
d_funcXPtr | dftfe::excDensityGGAClass< memorySpace > | private |
d_NNGGAPtr | dftfe::excDensityGGAClass< memorySpace > | private |
d_spacingFDStencil | dftfe::excDensityGGAClass< memorySpace > | private |
d_vxcDivergenceTermFDStencilSize | dftfe::excDensityGGAClass< memorySpace > | private |
excDensityGGAClass(std::shared_ptr< xc_func_type > funcXPtr, std::shared_ptr< xc_func_type > funcCPtr) | dftfe::excDensityGGAClass< memorySpace > | |
excDensityGGAClass(std::shared_ptr< xc_func_type > funcXPtr, std::shared_ptr< xc_func_type > funcCPtr, std::string modelXCInputFile) | dftfe::excDensityGGAClass< 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::excDensityGGAClass< memorySpace > | virtual |
getWaveFunctionDependentExcEnergy() override | dftfe::excDensityGGAClass< memorySpace > | virtual |
reinitKPointDependentVariables(unsigned int kPointIndex) override | dftfe::excDensityGGAClass< memorySpace > | virtual |
updateWaveFunctionDependentFuncDerWrtPsi(const std::shared_ptr< AuxDensityMatrix< memorySpace > > &auxDensityMatrixPtr, const std::vector< double > &kPointWeights) override | dftfe::excDensityGGAClass< memorySpace > | virtual |
~excDensityGGAClass() | dftfe::excDensityGGAClass< memorySpace > | |
~ExcSSDFunctionalBaseClass() | dftfe::ExcSSDFunctionalBaseClass< memorySpace > | virtual |