| add_p(const CVecRef< std::map< size_t, typename R::value_type > > &pparams, const array::Span< value_type > &pp_action_matrix, const VecRef< R > ¶meters, const VecRef< R > &actions, fapply_on_p_type apply_p) override | molpro::linalg::itsolv::IterativeSolverTemplate< Optimize, R, R, std::map< size_t, typename R::value_type > > | inlinevirtual |
| add_vector(R ¶meters, R &residual, value_type value) override | molpro::linalg::itsolv::OptimizeBFGS< R, Q, P > | inlinevirtual |
| IterativeSolverTemplate< Optimize, R, R, std::map< size_t, typename R::value_type > >::add_vector(const VecRef< R > ¶meters, const VecRef< R > &actions) override | molpro::linalg::itsolv::IterativeSolverTemplate< Optimize, R, R, std::map< size_t, typename R::value_type > > | inlinevirtual |
| IterativeSolverTemplate< Optimize, R, R, std::map< size_t, typename R::value_type > >::add_vector(std::vector< R > ¶meters, std::vector< R > &actions) override | molpro::linalg::itsolv::IterativeSolverTemplate< Optimize, R, R, std::map< size_t, typename R::value_type > > | inlinevirtual |
| BFGS_update_1(R &residual, std::shared_ptr< const subspace::IXSpace< R, Q, P > > xspace, const Matrix< double > &H) | molpro::linalg::itsolv::OptimizeBFGS< R, Q, P > | inline |
| BFGS_update_2(R &z, std::shared_ptr< const subspace::IXSpace< R, Q, P > > xspace, const Matrix< double > &H) | molpro::linalg::itsolv::OptimizeBFGS< R, Q, P > | inline |
| check_consistent_number_of_roots_and_solutions(const std::vector< TTT > &roots, const size_t nparams) | molpro::linalg::itsolv::IterativeSolverTemplate< Optimize, R, R, std::map< size_t, typename R::value_type > > | inlineprotected |
| clearP() override | molpro::linalg::itsolv::IterativeSolverTemplate< Optimize, R, R, std::map< size_t, typename R::value_type > > | inlinevirtual |
| construct_residual(const std::vector< int > &roots, const CVecRef< R > ¶ms, const VecRef< R > &actions) override | molpro::linalg::itsolv::OptimizeBFGS< R, Q, P > | inlineprotectedvirtual |
| convergence_threshold() const override | molpro::linalg::itsolv::IterativeSolverTemplate< Optimize, R, R, std::map< size_t, typename R::value_type > > | inlinevirtual |
| convergence_threshold_value() const override | molpro::linalg::itsolv::IterativeSolverTemplate< Optimize, R, R, std::map< size_t, typename R::value_type > > | inlinevirtual |
| dimensions() const override | molpro::linalg::itsolv::IterativeSolverTemplate< Optimize, R, R, std::map< size_t, typename R::value_type > > | inlinevirtual |
| end_iteration(const VecRef< R > ¶meters, const VecRef< R > &action) override | molpro::linalg::itsolv::OptimizeBFGS< R, Q, P > | inlinevirtual |
| end_iteration(std::vector< R > ¶meters, std::vector< R > &action) override | molpro::linalg::itsolv::OptimizeBFGS< R, Q, P > | inlinevirtual |
| end_iteration(R ¶meters, R &actions) override | molpro::linalg::itsolv::OptimizeBFGS< R, Q, P > | inlinevirtual |
| end_iteration_needed() override | molpro::linalg::itsolv::IterativeSolverTemplate< Optimize, R, R, std::map< size_t, typename R::value_type > > | inlineprotectedvirtual |
| errors() const override | molpro::linalg::itsolv::IterativeSolverTemplate< Optimize, R, R, std::map< size_t, typename R::value_type > > | inlinevirtual |
| fapply_on_p_type typedef | molpro::linalg::itsolv::IterativeSolver< R, R, std::map< size_t, typename R::value_type > > | |
| get_max_iter() const override | molpro::linalg::itsolv::IterativeSolverTemplate< Optimize, R, R, std::map< size_t, typename R::value_type > > | inlinevirtual |
| get_max_p() const override | molpro::linalg::itsolv::IterativeSolverTemplate< Optimize, R, R, std::map< size_t, typename R::value_type > > | inlinevirtual |
| get_max_size_qspace() const | molpro::linalg::itsolv::OptimizeBFGS< R, Q, P > | inline |
| get_options() const override | molpro::linalg::itsolv::OptimizeBFGS< R, Q, P > | inlinevirtual |
| get_p_threshold() const override | molpro::linalg::itsolv::IterativeSolverTemplate< Optimize, R, R, std::map< size_t, typename R::value_type > > | inlinevirtual |
| get_verbosity() const override | molpro::linalg::itsolv::IterativeSolverTemplate< Optimize, R, R, std::map< size_t, typename R::value_type > > | inlinevirtual |
| IterativeSolver()=default | molpro::linalg::itsolv::IterativeSolver< R, R, std::map< size_t, typename R::value_type > > | |
| IterativeSolver(const IterativeSolver< R, R, std::map< size_t, typename R::value_type > > &)=delete | molpro::linalg::itsolv::IterativeSolver< R, R, std::map< size_t, typename R::value_type > > | |
| IterativeSolver(IterativeSolver< R, R, std::map< size_t, typename R::value_type > > &&) noexcept=default | molpro::linalg::itsolv::IterativeSolver< R, R, std::map< size_t, typename R::value_type > > | |
| IterativeSolverTemplate()=delete | molpro::linalg::itsolv::IterativeSolverTemplate< Optimize, R, R, std::map< size_t, typename R::value_type > > | |
| IterativeSolverTemplate(const IterativeSolverTemplate< Optimize, R, R, std::map< size_t, typename R::value_type > > &)=delete | molpro::linalg::itsolv::IterativeSolverTemplate< Optimize, R, R, std::map< size_t, typename R::value_type > > | |
| IterativeSolverTemplate(IterativeSolverTemplate< Optimize, R, R, std::map< size_t, typename R::value_type > > &&) noexcept=default | molpro::linalg::itsolv::IterativeSolverTemplate< Optimize, R, R, std::map< size_t, typename R::value_type > > | |
| IterativeSolverTemplate(std::shared_ptr< subspace::IXSpace< R, R, std::map< size_t, typename R::value_type > > > xspace, std::shared_ptr< subspace::ISubspaceSolver< R, R, std::map< size_t, typename R::value_type > > > solver, std::shared_ptr< ArrayHandlers< R, R, std::map< size_t, typename R::value_type > > > handlers, std::shared_ptr< Statistics > stats, std::shared_ptr< Logger > logger) | molpro::linalg::itsolv::IterativeSolverTemplate< Optimize, R, R, std::map< size_t, typename R::value_type > > | inlineprotected |
| linearEigensystem() const | molpro::linalg::itsolv::IterativeSolverTemplate< Optimize, R, R, std::map< size_t, typename R::value_type > > | inlineprotectedvirtual |
| logger | molpro::linalg::itsolv::OptimizeBFGS< R, Q, P > | |
| m_apply_p | molpro::linalg::itsolv::IterativeSolverTemplate< Optimize, R, R, std::map< size_t, typename R::value_type > > | protected |
| m_BFGS_update_alpha | molpro::linalg::itsolv::OptimizeBFGS< R, Q, P > | protected |
| m_convergence_threshold | molpro::linalg::itsolv::IterativeSolverTemplate< Optimize, R, R, std::map< size_t, typename R::value_type > > | protected |
| m_convergence_threshold_value | molpro::linalg::itsolv::IterativeSolverTemplate< Optimize, R, R, std::map< size_t, typename R::value_type > > | protected |
| m_end_iteration_needed | molpro::linalg::itsolv::IterativeSolverTemplate< Optimize, R, R, std::map< size_t, typename R::value_type > > | protected |
| m_errors | molpro::linalg::itsolv::IterativeSolverTemplate< Optimize, R, R, std::map< size_t, typename R::value_type > > | protected |
| m_handlers | molpro::linalg::itsolv::IterativeSolverTemplate< Optimize, R, R, std::map< size_t, typename R::value_type > > | protected |
| m_last_iteration_linesearching | molpro::linalg::itsolv::OptimizeBFGS< R, Q, P > | protected |
| m_linesearch | molpro::linalg::itsolv::OptimizeBFGS< R, Q, P > | protected |
| m_linesearch_grow_factor | molpro::linalg::itsolv::OptimizeBFGS< R, Q, P > | protected |
| m_linesearch_tolerance | molpro::linalg::itsolv::OptimizeBFGS< R, Q, P > | protected |
| m_logger | molpro::linalg::itsolv::IterativeSolverTemplate< Optimize, R, R, std::map< size_t, typename R::value_type > > | protected |
| m_max_iter | molpro::linalg::itsolv::IterativeSolverTemplate< Optimize, R, R, std::map< size_t, typename R::value_type > > | protected |
| m_max_p | molpro::linalg::itsolv::IterativeSolverTemplate< Optimize, R, R, std::map< size_t, typename R::value_type > > | protected |
| m_max_size_qspace | molpro::linalg::itsolv::OptimizeBFGS< R, Q, P > | protected |
| m_normalise_solution | molpro::linalg::itsolv::IterativeSolverTemplate< Optimize, R, R, std::map< size_t, typename R::value_type > > | protected |
| m_nroots | molpro::linalg::itsolv::IterativeSolverTemplate< Optimize, R, R, std::map< size_t, typename R::value_type > > | protected |
| m_p_threshold | molpro::linalg::itsolv::IterativeSolverTemplate< Optimize, R, R, std::map< size_t, typename R::value_type > > | protected |
| m_quasinewton_maximum_step | molpro::linalg::itsolv::OptimizeBFGS< R, Q, P > | protected |
| m_stats | molpro::linalg::itsolv::IterativeSolverTemplate< Optimize, R, R, std::map< size_t, typename R::value_type > > | protected |
| m_strong_Wolfe | molpro::linalg::itsolv::OptimizeBFGS< R, Q, P > | protected |
| m_subspace_solver | molpro::linalg::itsolv::IterativeSolverTemplate< Optimize, R, R, std::map< size_t, typename R::value_type > > | protected |
| m_value_errors | molpro::linalg::itsolv::IterativeSolverTemplate< Optimize, R, R, std::map< size_t, typename R::value_type > > | protected |
| m_verbosity | molpro::linalg::itsolv::IterativeSolverTemplate< Optimize, R, R, std::map< size_t, typename R::value_type > > | protected |
| m_Wolfe_1 | molpro::linalg::itsolv::OptimizeBFGS< R, Q, P > | protected |
| m_Wolfe_2 | molpro::linalg::itsolv::OptimizeBFGS< R, Q, P > | protected |
| m_working_set | molpro::linalg::itsolv::IterativeSolverTemplate< Optimize, R, R, std::map< size_t, typename R::value_type > > | protected |
| m_xspace | molpro::linalg::itsolv::IterativeSolverTemplate< Optimize, R, R, std::map< size_t, typename R::value_type > > | protected |
| n_roots() const override | molpro::linalg::itsolv::IterativeSolverTemplate< Optimize, R, R, std::map< size_t, typename R::value_type > > | inlinevirtual |
| nonlinear() const override | molpro::linalg::itsolv::OptimizeBFGS< R, Q, P > | inlinevirtual |
| operator=(const IterativeSolverTemplate< Optimize, R, R, std::map< size_t, typename R::value_type > > &)=delete | molpro::linalg::itsolv::IterativeSolverTemplate< Optimize, R, R, std::map< size_t, typename R::value_type > > | |
| operator=(IterativeSolverTemplate< Optimize, R, R, std::map< size_t, typename R::value_type > > &&) noexcept=default | molpro::linalg::itsolv::IterativeSolverTemplate< Optimize, R, R, std::map< size_t, typename R::value_type > > | |
| Optimize< R, R, std::map< size_t, typename R::value_type > >::operator=(const IterativeSolver< R, R, std::map< size_t, typename R::value_type > > &)=delete | molpro::linalg::itsolv::IterativeSolver< R, R, std::map< size_t, typename R::value_type > > | |
| Optimize< R, R, std::map< size_t, typename R::value_type > >::operator=(IterativeSolver< R, R, std::map< size_t, typename R::value_type > > &&) noexcept=default | molpro::linalg::itsolv::IterativeSolver< R, R, std::map< size_t, typename R::value_type > > | |
| OptimizeBFGS(const std::shared_ptr< ArrayHandlers< R, Q, P > > &handlers, const std::shared_ptr< Logger > &logger_=std::make_shared< Logger >()) | molpro::linalg::itsolv::OptimizeBFGS< R, Q, P > | inlineexplicit |
| profiler() const override | molpro::linalg::itsolv::IterativeSolverTemplate< Optimize, R, R, std::map< size_t, typename R::value_type > > | inlinevirtual |
| report(std::ostream &cout, bool endl=true) const override | molpro::linalg::itsolv::OptimizeBFGS< R, Q, P > | inlinevirtual |
| report(std::ostream &cout, bool endl=true) const override | molpro::linalg::itsolv::OptimizeBFGS< R, Q, P > | inlinevirtual |
| report() const override | molpro::linalg::itsolv::OptimizeBFGS< R, Q, P > | inlinevirtual |
| scalar_type typedef | molpro::linalg::itsolv::IterativeSolver< R, R, std::map< size_t, typename R::value_type > > | |
| set_convergence_threshold(double thresh) override | molpro::linalg::itsolv::IterativeSolverTemplate< Optimize, R, R, std::map< size_t, typename R::value_type > > | inlinevirtual |
| set_convergence_threshold_value(double thresh) override | molpro::linalg::itsolv::IterativeSolverTemplate< Optimize, R, R, std::map< size_t, typename R::value_type > > | inlinevirtual |
| set_max_iter(int n) override | molpro::linalg::itsolv::IterativeSolverTemplate< Optimize, R, R, std::map< size_t, typename R::value_type > > | inlinevirtual |
| set_max_p(int n) override | molpro::linalg::itsolv::IterativeSolverTemplate< Optimize, R, R, std::map< size_t, typename R::value_type > > | inlinevirtual |
| set_max_size_qspace(int n) | molpro::linalg::itsolv::OptimizeBFGS< R, Q, P > | inline |
| set_n_roots(size_t roots) override | molpro::linalg::itsolv::IterativeSolverTemplate< Optimize, R, R, std::map< size_t, typename R::value_type > > | inlinevirtual |
| set_options(const Options &options) override | molpro::linalg::itsolv::OptimizeBFGS< R, Q, P > | inlinevirtual |
| set_p_threshold(double threshold) override | molpro::linalg::itsolv::IterativeSolverTemplate< Optimize, R, R, std::map< size_t, typename R::value_type > > | inlinevirtual |
| set_profiler(molpro::profiler::Profiler &profiler) override | molpro::linalg::itsolv::IterativeSolverTemplate< Optimize, R, R, std::map< size_t, typename R::value_type > > | inlinevirtual |
| set_value_errors() override | molpro::linalg::itsolv::OptimizeBFGS< R, Q, P > | inlinevirtual |
| set_verbosity(Verbosity v) override | molpro::linalg::itsolv::IterativeSolverTemplate< Optimize, R, R, std::map< size_t, typename R::value_type > > | inlinevirtual |
| set_verbosity(int v) override | molpro::linalg::itsolv::IterativeSolverTemplate< Optimize, R, R, std::map< size_t, typename R::value_type > > | inlinevirtual |
| solution(const std::vector< int > &roots, const VecRef< R > ¶meters, const VecRef< R > &residual) override | molpro::linalg::itsolv::IterativeSolverTemplate< Optimize, R, R, std::map< size_t, typename R::value_type > > | inlinevirtual |
| solution(const std::vector< int > &roots, std::vector< R > ¶meters, std::vector< R > &residual) override | molpro::linalg::itsolv::IterativeSolverTemplate< Optimize, R, R, std::map< size_t, typename R::value_type > > | inlinevirtual |
| solution(R ¶meters, R &residual) override | molpro::linalg::itsolv::IterativeSolverTemplate< Optimize, R, R, std::map< size_t, typename R::value_type > > | inlinevirtual |
| solution_params(const std::vector< int > &roots, std::vector< R > ¶meters) override | molpro::linalg::itsolv::IterativeSolverTemplate< Optimize, R, R, std::map< size_t, typename R::value_type > > | inlinevirtual |
| solution_params(const std::vector< int > &roots, const VecRef< R > ¶meters) override | molpro::linalg::itsolv::IterativeSolverTemplate< Optimize, R, R, std::map< size_t, typename R::value_type > > | inlinevirtual |
| solution_params(R ¶meters) override | molpro::linalg::itsolv::IterativeSolverTemplate< Optimize, R, R, std::map< size_t, typename R::value_type > > | inlinevirtual |
| solve(const VecRef< R > ¶meters, const VecRef< R > &actions, const Problem< R > &problem, bool generate_initial_guess=false) override | molpro::linalg::itsolv::IterativeSolverTemplate< Optimize, R, R, std::map< size_t, typename R::value_type > > | inlinevirtual |
| solve(R ¶meters, R &actions, const Problem< R > &problem, bool generate_initial_guess=false) override | molpro::linalg::itsolv::IterativeSolverTemplate< Optimize, R, R, std::map< size_t, typename R::value_type > > | inlinevirtual |
| solve(std::vector< R > ¶meters, std::vector< R > &actions, const Problem< R > &problem, bool generate_initial_guess=false) override | molpro::linalg::itsolv::IterativeSolverTemplate< Optimize, R, R, std::map< size_t, typename R::value_type > > | inlinevirtual |
| solve_and_generate_working_set(const VecRef< R > ¶meters, const VecRef< R > &action) | molpro::linalg::itsolv::IterativeSolverTemplate< Optimize, R, R, std::map< size_t, typename R::value_type > > | inlineprotected |
| SolverTemplate typedef | molpro::linalg::itsolv::OptimizeBFGS< R, Q, P > | |
| statistics() const override | molpro::linalg::itsolv::IterativeSolverTemplate< Optimize, R, R, std::map< size_t, typename R::value_type > > | inlinevirtual |
| SubspaceSolver typedef | molpro::linalg::itsolv::OptimizeBFGS< R, Q, P > | |
| suggest_p(const CVecRef< R > &solution, const CVecRef< R > &residual, size_t max_number, double threshold) override | molpro::linalg::itsolv::IterativeSolverTemplate< Optimize, R, R, std::map< size_t, typename R::value_type > > | inlinevirtual |
| test_problem(const Problem< R > &problem, R &v0, R &v1, int verbosity, double threshold) const override | molpro::linalg::itsolv::IterativeSolverTemplate< Optimize, R, R, std::map< size_t, typename R::value_type > > | inlinevirtual |
| value() const override | molpro::linalg::itsolv::IterativeSolverTemplate< Optimize, R, R, std::map< size_t, typename R::value_type > > | inlinevirtual |
| value_type typedef | molpro::linalg::itsolv::IterativeSolver< R, R, std::map< size_t, typename R::value_type > > | |
| value_type_abs typedef | molpro::linalg::itsolv::IterativeSolver< R, R, std::map< size_t, typename R::value_type > > | |
| VectorP typedef | molpro::linalg::itsolv::IterativeSolver< R, R, std::map< size_t, typename R::value_type > > | |
| working_set() const override | molpro::linalg::itsolv::IterativeSolverTemplate< Optimize, R, R, std::map< size_t, typename R::value_type > > | inlinevirtual |
| working_set_eigenvalues() const | molpro::linalg::itsolv::IterativeSolver< R, R, std::map< size_t, typename R::value_type > > | inlinevirtual |
| ~IterativeSolver()=default | molpro::linalg::itsolv::IterativeSolver< R, R, std::map< size_t, typename R::value_type > > | virtual |
| ~IterativeSolverTemplate() | molpro::linalg::itsolv::IterativeSolverTemplate< Optimize, R, R, std::map< size_t, typename R::value_type > > | inlineprotectedvirtual |
1.9.4