mpqc::lcao::detail::PMOrbitalSpreadMinimizer Member List
This is the complete list of members for mpqc::lcao::detail::PMOrbitalSpreadMinimizer, including all inherited members.
compute(Mat &Cm, Mat &U) const final | mpqc::lcao::detail::PMOrbitalSpreadMinimizer | virtual |
Mat typedef | mpqc::lcao::detail::OrbitalSpreadMinimizer | |
PMOrbitalSpreadMinimizer(Mat const &S_min_obs, Mat const &S_min, size_t nAtoms, std::vector< Atom > const &atoms, std::vector< gaussian::Shell > const &min_shells, double convergence_threshold, size_t max_iter, int spread_exponent) | mpqc::lcao::detail::PMOrbitalSpreadMinimizer | |
~PMOrbitalSpreadMinimizer()=default | mpqc::lcao::detail::PMOrbitalSpreadMinimizer | virtual |