mpqc::lcao::pbc::NonLinearConjGradient< Tile, Policy, Gradient, Mat > Member List
This is the complete list of members for mpqc::lcao::pbc::NonLinearConjGradient< Tile, Policy, Gradient, Mat >, including all inherited members.
| ao_factory_ | mpqc::lcao::pbc::NonLinearConjGradient< Tile, Policy, Gradient, Mat > | protected |
| compute(std::vector< Mat > const &C, std::vector< Mat > &C_rotated, Eigen::Vector3i const &nk, int64_t nocc, size_t ncols_of_C_to_skip=0) const final | mpqc::lcao::pbc::NonLinearConjGradient< Tile, Policy, Gradient, Mat > | inlinevirtual |
| convergence_threshold_ | mpqc::lcao::pbc::NonLinearConjGradient< Tile, Policy, Gradient, Mat > | protected |
| evaluate_P_on_range(Eigen::VectorXd &mu_list, Eigen::VectorXd &P_list, const double lower_bound, const double upper_bound, const int p, const int nkpts, Eigen::Vector3i const &nk, std::vector< Mat > const &Hn, std::vector< Mat > const &Wn, std::vector< std::vector< Mat >> const &Q_list) const | mpqc::lcao::pbc::NonLinearConjGradient< Tile, Policy, Gradient, Mat > | inline |
| find_max_idx(Eigen::VectorXd const &list, double const max_value) const | mpqc::lcao::pbc::NonLinearConjGradient< Tile, Policy, Gradient, Mat > | inline |
| fit_data(Eigen::VectorXd const &mu_list, Eigen::VectorXd const &P_list) const | mpqc::lcao::pbc::NonLinearConjGradient< Tile, Policy, Gradient, Mat > | inline |
| get_upper_bound(double const &lower_bound, double const &upper_bound, Eigen::VectorXd &mu_list, Eigen::VectorXd &P_list, const int p, const double P_initial, Eigen::Vector3i const &nk, std::vector< Mat > const &Hn, std::vector< Mat > const &Wn, std::vector< std::vector< Mat >> const &Q_list, const int nkpts) const | mpqc::lcao::pbc::NonLinearConjGradient< Tile, Policy, Gradient, Mat > | inline |
| gradient_ | mpqc::lcao::pbc::NonLinearConjGradient< Tile, Policy, Gradient, Mat > | protected |
| init(std::shared_ptr< detail::zOrbitalLocalizationGradient< Mat >> gradient) | mpqc::lcao::pbc::NonLinearConjGradient< Tile, Policy, Gradient, Mat > | inlineprotected |
| initial_W_ | mpqc::lcao::pbc::NonLinearConjGradient< Tile, Policy, Gradient, Mat > | protected |
| inner_product(Mat const &bra_mat, Mat const &ket_mat) const | mpqc::lcao::pbc::NonLinearConjGradient< Tile, Policy, Gradient, Mat > | inline |
| max_iter_ | mpqc::lcao::pbc::NonLinearConjGradient< Tile, Policy, Gradient, Mat > | protected |
| NonLinearConjGradient(const KeyVal &kv) | mpqc::lcao::pbc::NonLinearConjGradient< Tile, Policy, Gradient, Mat > | inlineexplicit |
| NonLinearConjGradient(int max_iter, double target_precision) | mpqc::lcao::pbc::NonLinearConjGradient< Tile, Policy, Gradient, Mat > | inlineprotected |
| rotate_W(const int nkpts, double mu, std::vector< Mat > const &Hn, std::vector< Mat > const &Wn) const | mpqc::lcao::pbc::NonLinearConjGradient< Tile, Policy, Gradient, Mat > | inline |
| solve_root(const double &lower_bound, double &upper_bound, const int p, const double P_initial, const int nkpts, Eigen::Vector3i const &nk, std::vector< Mat > const &Hn, std::vector< Mat > const &Wn, std::vector< std::vector< Mat >> const &Q_list) const | mpqc::lcao::pbc::NonLinearConjGradient< Tile, Policy, Gradient, Mat > | inline |
| update_factor_ | mpqc::lcao::pbc::NonLinearConjGradient< Tile, Policy, Gradient, Mat > | protected |
| update_W_fit_functional(const int nkpts, const int p, double const &lower_bound, double &upper_bound, double &P_initial, Eigen::Vector3i const &nk, std::vector< Mat > const &Hn, std::vector< Mat > const &Wn, std::vector< std::vector< Mat >> const &Q_list) const | mpqc::lcao::pbc::NonLinearConjGradient< Tile, Policy, Gradient, Mat > | inline |
| wfn_world_ | mpqc::lcao::pbc::NonLinearConjGradient< Tile, Policy, Gradient, Mat > | protected |
| ~NonLinearConjGradient()=default | mpqc::lcao::pbc::NonLinearConjGradient< Tile, Policy, Gradient, Mat > | virtual |
| ~zOrbitalLocalizer()=default | mpqc::lcao::zOrbitalLocalizer< Tile, Policy, Mat > | virtual |
