Searched defs:nuclear_charges (Results 1 – 5 of 5) sorted by relevance
192 def __init__(self, molecule, origin, axes, nrep, data, subtitle='', nuclear_charges=None): argument
1103 arma::vec Bader::nuclear_charges() const { in nuclear_charges() function in Bader1389 arma::vec Bader::nuclear_charges(const BasisSet & basis, const arma::mat & P) const { in nuclear_charges() function in Bader
402 arma::vec BaderGrid::nuclear_charges(const arma::mat & P) { in nuclear_charges() function in BaderGrid