| calc_lattice_derivatices(Eigen::Matrix3d &stress, Eigen::Matrix3d &alat) (defined in vcsqnm::PES_optimizer::periodic_optimizer) | vcsqnm::PES_optimizer::periodic_optimizer | inlineprivate |
| check_forces(Eigen::MatrixXd forces) (defined in vcsqnm::PES_optimizer::periodic_optimizer) | vcsqnm::PES_optimizer::periodic_optimizer | inline |
| combine_matrices(Eigen::MatrixXd a, Eigen::MatrixXd b) (defined in vcsqnm::PES_optimizer::periodic_optimizer) | vcsqnm::PES_optimizer::periodic_optimizer | inlineprivate |
| f_std_deviation (defined in vcsqnm::PES_optimizer::periodic_optimizer) | vcsqnm::PES_optimizer::periodic_optimizer | private |
| get_initial_step_size() (defined in vcsqnm::PES_optimizer::periodic_optimizer) | vcsqnm::PES_optimizer::periodic_optimizer | inline |
| get_n_hist_max() (defined in vcsqnm::PES_optimizer::periodic_optimizer) | vcsqnm::PES_optimizer::periodic_optimizer | inline |
| get_w() (defined in vcsqnm::PES_optimizer::periodic_optimizer) | vcsqnm::PES_optimizer::periodic_optimizer | inline |
| initial_latttice (defined in vcsqnm::PES_optimizer::periodic_optimizer) | vcsqnm::PES_optimizer::periodic_optimizer | private |
| initial_latttice_inv (defined in vcsqnm::PES_optimizer::periodic_optimizer) | vcsqnm::PES_optimizer::periodic_optimizer | private |
| initial_step_size (defined in vcsqnm::PES_optimizer::periodic_optimizer) | vcsqnm::PES_optimizer::periodic_optimizer | private |
| lattice_transformer (defined in vcsqnm::PES_optimizer::periodic_optimizer) | vcsqnm::PES_optimizer::periodic_optimizer | private |
| lattice_transformer_inv (defined in vcsqnm::PES_optimizer::periodic_optimizer) | vcsqnm::PES_optimizer::periodic_optimizer | private |
| lower_bound() | vcsqnm::PES_optimizer::periodic_optimizer | inline |
| n_hist_max (defined in vcsqnm::PES_optimizer::periodic_optimizer) | vcsqnm::PES_optimizer::periodic_optimizer | private |
| nat (defined in vcsqnm::PES_optimizer::periodic_optimizer) | vcsqnm::PES_optimizer::periodic_optimizer | private |
| ndim (defined in vcsqnm::PES_optimizer::periodic_optimizer) | vcsqnm::PES_optimizer::periodic_optimizer | private |
| opt (defined in vcsqnm::PES_optimizer::periodic_optimizer) | vcsqnm::PES_optimizer::periodic_optimizer | private |
| opt_lattice (defined in vcsqnm::PES_optimizer::periodic_optimizer) | vcsqnm::PES_optimizer::periodic_optimizer | private |
| periodic_optimizer(int &nat) | vcsqnm::PES_optimizer::periodic_optimizer | inline |
| periodic_optimizer(int &nat, double initial_step_size, int nhist_max, double alpha0, double eps_subsp) | vcsqnm::PES_optimizer::periodic_optimizer | inline |
| periodic_optimizer(int &nat, Eigen::Vector3d &lat_a, Eigen::Vector3d &lat_b, Eigen::Vector3d &lat_c) | vcsqnm::PES_optimizer::periodic_optimizer | inline |
| periodic_optimizer(int &nat, Eigen::Vector3d &lat_a, Eigen::Vector3d &lat_b, Eigen::Vector3d &lat_c, double initial_step_size, int nhist_max, double lattice_weight, double alpha0, double eps_subsp) | vcsqnm::PES_optimizer::periodic_optimizer | inline |
| setupInitialLattice(int &nat, Eigen::Vector3d &lat_a, Eigen::Vector3d &lat_b, Eigen::Vector3d &lat_c) (defined in vcsqnm::PES_optimizer::periodic_optimizer) | vcsqnm::PES_optimizer::periodic_optimizer | inlineprivate |
| split_matrices(Eigen::MatrixXd &a, Eigen::MatrixXd &b, Eigen::VectorXd &c) (defined in vcsqnm::PES_optimizer::periodic_optimizer) | vcsqnm::PES_optimizer::periodic_optimizer | inlineprivate |
| step(Eigen::MatrixXd &r, double &energy, Eigen::MatrixXd &f) | vcsqnm::PES_optimizer::periodic_optimizer | inline |
| step(Eigen::MatrixXd &r, double &energy, Eigen::MatrixXd &f, Eigen::Vector3d &lat_a, Eigen::Vector3d &lat_b, Eigen::Vector3d &lat_c, Eigen::Matrix3d &stress) | vcsqnm::PES_optimizer::periodic_optimizer | inline |
| w (defined in vcsqnm::PES_optimizer::periodic_optimizer) | vcsqnm::PES_optimizer::periodic_optimizer | private |
