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 finalmpqc::lcao::detail::PMOrbitalSpreadMinimizervirtual
Mat typedefmpqc::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()=defaultmpqc::lcao::detail::PMOrbitalSpreadMinimizervirtual