| compute_function(std::vector< MatrixzVec > const &Q_list, MatrixzVec const &Wn, Eigen::Vector3i const &nk) const final | mpqc::lcao::pbc::detail::PMzOrbitalLocalizationGradient< Tile, Policy, Mat > | inlinevirtual |
| compute_gradient(std::vector< MatrixzVec > const &Q_list, MatrixzVec const &Wn, Eigen::Vector3i const &nk) const final | mpqc::lcao::pbc::detail::PMzOrbitalLocalizationGradient< Tile, Policy, Mat > | inlinevirtual |
| compute_numerical_G(std::vector< std::vector< Mat >> const &Q_list, std::vector< Mat > const &Wn, double delta, Eigen::Vector3i const &nk) const | mpqc::lcao::pbc::detail::PMzOrbitalLocalizationGradient< Tile, Policy, Mat > | inline |
| mpqc::lcao::pbc::detail::zOrbitalLocalizationGradient::compute_numerical_G(std::vector< MatrixzVec > const &Q_list, MatrixzVec const &Wn, double delta, Eigen::Vector3i const &nk) const =0 | mpqc::lcao::pbc::detail::zOrbitalLocalizationGradient< Mat > | pure virtual |
| compute_numerical_gradient(std::vector< std::vector< Mat >> const &Q_list, std::vector< Mat > const &Wn, double delta, Eigen::Vector3i const &nk) const | mpqc::lcao::pbc::detail::PMzOrbitalLocalizationGradient< Tile, Policy, Mat > | inline |
| mpqc::lcao::pbc::detail::zOrbitalLocalizationGradient::compute_numerical_gradient(std::vector< MatrixzVec > const &Q_list, MatrixzVec const &Wn, double delta, Eigen::Vector3i const &nk) const =0 | mpqc::lcao::pbc::detail::zOrbitalLocalizationGradient< Mat > | pure virtual |
| localization_range() const final | mpqc::lcao::pbc::detail::PMzOrbitalLocalizationGradient< Tile, Policy, Mat > | inlinevirtual |
| MatrixzVec typedef | mpqc::lcao::pbc::detail::PMzOrbitalLocalizationGradient< Tile, Policy, Mat > | |
| PMzOrbitalLocalizationGradient(std::shared_ptr< pbc::gaussian::AOFactory< TileD, Policy >> ao_factory, double convergence_threshold, size_t max_iter) | mpqc::lcao::pbc::detail::PMzOrbitalLocalizationGradient< Tile, Policy, Mat > | inline |
| precompute_gradient(MatrixzVec const &C, Eigen::Vector3i const &nk) | mpqc::lcao::pbc::detail::PMzOrbitalLocalizationGradient< Tile, Policy, Mat > | inlinevirtual |
| shift_Q(std::vector< MatrixzVec > const &Q_list, const Supercell::Point &R_pt, Eigen::Vector3i const &nk, const std::shared_ptr< const UnitCell > &k_mesh_unitcell) const final | mpqc::lcao::pbc::detail::PMzOrbitalLocalizationGradient< Tile, Policy, Mat > | inlinevirtual |
| ~PMzOrbitalLocalizationGradient()=default | mpqc::lcao::pbc::detail::PMzOrbitalLocalizationGradient< Tile, Policy, Mat > | virtual |
