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::SlaterBasis, including all inherited members.
BasisType enum name | dftfe::AtomicBasis | |
constructBasisSet(const std::vector< std::pair< std::string, std::vector< double > > > &atomCoords, const std::unordered_map< std::string, std::string > &atomBasisFileNames) override | dftfe::SlaterBasis | virtual |
d_angleTol | dftfe::SlaterBasis | private |
d_atomSymbolsAndCoords | dftfe::SlaterBasis | private |
d_atomToSlaterPrimitivesPtr | dftfe::SlaterBasis | private |
d_rTol | dftfe::SlaterBasis | private |
d_slaterBasisInfo | dftfe::SlaterBasis | private |
getBasisGradient(const unsigned int basisId, const std::vector< double > &x) const override | dftfe::SlaterBasis | virtual |
getBasisLaplacian(const unsigned int basisId, const std::vector< double > &x) const override | dftfe::SlaterBasis | virtual |
getBasisValue(const unsigned int basisId, const std::vector< double > &x) const override | dftfe::SlaterBasis | virtual |
getNumBasis() const override | dftfe::SlaterBasis | virtual |
SlaterBasis(const double rTol=1e-10, const double angleTol=1e-10) | dftfe::SlaterBasis | |
~AtomicBasis()=default | dftfe::AtomicBasis | |
~SlaterBasis() | dftfe::SlaterBasis |