ERKALE
ERKALE - DFT from Hel
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StockholderAtom Member List

This is the complete list of members for StockholderAtom, including all inherited members.

atindStockholderAtomprivate
average(const Hirshfeld &hirsh, size_t irad) const StockholderAtomprivate
compute(const BasisSet &basis, const arma::mat &P, const std::vector< double > &shran, const std::vector< size_t > &compute_shells, double dr, size_t irad, int lmax)StockholderAtomprivate
fill_adaptive(const BasisSet &basis, const arma::mat &P, const Hirshfeld &hirsh, size_t atind, double dr, int nrad, int lmax, double tol, bool verbose)StockholderAtom
fill_static(const BasisSet &basis, const arma::mat &P, size_t atind, double dr, int nrad, int l, bool verbose)StockholderAtom
gridStockholderAtomprivate
rhoStockholderAtomprivate
StockholderAtom()StockholderAtom
update(const Hirshfeld &hirsh, std::vector< double > &rho)StockholderAtom
weightsStockholderAtomprivate
~StockholderAtom()StockholderAtom