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::AtomicBasis, 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)=0 | dftfe::AtomicBasis | pure virtual |
getBasisGradient(const unsigned int basisId, const std::vector< double > &x) const =0 | dftfe::AtomicBasis | pure virtual |
getBasisLaplacian(const unsigned int basisId, const std::vector< double > &x) const =0 | dftfe::AtomicBasis | pure virtual |
getBasisValue(const unsigned int basisId, const std::vector< double > &x) const =0 | dftfe::AtomicBasis | pure virtual |
getNumBasis() const =0 | dftfe::AtomicBasis | pure virtual |
~AtomicBasis()=default | dftfe::AtomicBasis |