DFT-FE 1.1.0-pre
Density Functional Theory With Finite-Elements
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dftfe::SlaterBasis Member List

This is the complete list of members for dftfe::SlaterBasis, including all inherited members.

BasisType enum namedftfe::AtomicBasis
constructBasisSet(const std::vector< std::pair< std::string, std::vector< double > > > &atomCoords, const std::unordered_map< std::string, std::string > &atomBasisFileNames) overridedftfe::SlaterBasisvirtual
d_angleToldftfe::SlaterBasisprivate
d_atomSymbolsAndCoordsdftfe::SlaterBasisprivate
d_atomToSlaterPrimitivesPtrdftfe::SlaterBasisprivate
d_rToldftfe::SlaterBasisprivate
d_slaterBasisInfodftfe::SlaterBasisprivate
getBasisGradient(const unsigned int basisId, const std::vector< double > &x) const overridedftfe::SlaterBasisvirtual
getBasisLaplacian(const unsigned int basisId, const std::vector< double > &x) const overridedftfe::SlaterBasisvirtual
getBasisValue(const unsigned int basisId, const std::vector< double > &x) const overridedftfe::SlaterBasisvirtual
getNumBasis() const overridedftfe::SlaterBasisvirtual
SlaterBasis(const double rTol=1e-10, const double angleTol=1e-10)dftfe::SlaterBasis
~AtomicBasis()=defaultdftfe::AtomicBasis
~SlaterBasis()dftfe::SlaterBasis