This is the complete list of members for
mcpele::MC, including all inherited members.
| abort() | mcpele::MC | [inline] |
| accept_t typedef | mcpele::MC | |
| actions_t typedef | mcpele::MC | |
| add_accept_test(std::shared_ptr< AcceptTest > accept_test) | mcpele::MC | [inline] |
| add_action(std::shared_ptr< Action > action) | mcpele::MC | [inline] |
| add_conf_test(std::shared_ptr< ConfTest > conf_test) | mcpele::MC | [inline] |
| add_late_conf_test(std::shared_ptr< ConfTest > conf_test) | mcpele::MC | [inline] |
| check_input() | mcpele::MC | |
| compute_energy(pele::Array< double > x) | mcpele::MC | [inline, protected] |
| conf_t typedef | mcpele::MC | |
| do_accept_tests(pele::Array< double > xtrial, double etrial, pele::Array< double > xold, double eold) | mcpele::MC | [protected] |
| do_actions(pele::Array< double > x, double energy, bool success) | mcpele::MC | [protected] |
| do_conf_tests(pele::Array< double > x) | mcpele::MC | [protected] |
| do_late_conf_tests(pele::Array< double > x) | mcpele::MC | [protected] |
| get_accepted_fraction() const | mcpele::MC | [inline] |
| get_conf_rejection_fraction() const | mcpele::MC | [inline] |
| get_coords() const | mcpele::MC | [inline] |
| get_E_rejection_fraction() const | mcpele::MC | [inline] |
| get_energy() const | mcpele::MC | [inline] |
| get_iterations_count() const | mcpele::MC | [inline] |
| get_naccept() const | mcpele::MC | [inline] |
| get_neval() const | mcpele::MC | [inline] |
| get_norm_coords() const | mcpele::MC | [inline] |
| get_nreject() const | mcpele::MC | [inline] |
| get_potential_ptr() | mcpele::MC | [inline] |
| get_report_steps() const | mcpele::MC | [inline] |
| get_success() const | mcpele::MC | [inline] |
| get_takestep() const | mcpele::MC | [inline] |
| get_temperature() const | mcpele::MC | [inline] |
| get_trial_coords() const | mcpele::MC | [inline] |
| get_trial_energy() const | mcpele::MC | [inline] |
| m_accept_count | mcpele::MC | [protected] |
| m_accept_tests | mcpele::MC | [protected] |
| m_actions | mcpele::MC | [protected] |
| m_conf_reject_count | mcpele::MC | [protected] |
| m_conf_tests | mcpele::MC | [protected] |
| m_coords | mcpele::MC | [protected] |
| m_E_reject_count | mcpele::MC | [protected] |
| m_energy | mcpele::MC | |
| m_late_conf_tests | mcpele::MC | [protected] |
| m_neval | mcpele::MC | |
| m_niter | mcpele::MC | |
| m_nitercount | mcpele::MC | [protected] |
| m_potential | mcpele::MC | [protected] |
| m_print_progress | mcpele::MC | [protected] |
| m_success | mcpele::MC | [protected] |
| m_take_step | mcpele::MC | [protected] |
| m_temperature | mcpele::MC | |
| m_trial_coords | mcpele::MC | [protected] |
| m_trial_energy | mcpele::MC | |
| MC(std::shared_ptr< pele::BasePotential > potential, pele::Array< double > &coords, const double temperature) | mcpele::MC | |
| one_iteration() | mcpele::MC | |
| report_steps_specified() const | mcpele::MC | [inline] |
| reset_energy() | mcpele::MC | |
| run(const size_t max_iter) | mcpele::MC | |
| set_coordinates(pele::Array< double > &coords, double energy) | mcpele::MC | |
| set_print_progress(const bool input) | mcpele::MC | [inline] |
| set_print_progress() | mcpele::MC | [inline] |
| set_report_steps(const size_t report_steps) | mcpele::MC | [inline] |
| set_takestep(std::shared_ptr< TakeStep > takestep) | mcpele::MC | [inline] |
| set_temperature(const double T) | mcpele::MC | [inline] |
| take_step_specified() const | mcpele::MC | [inline] |
| take_steps() | mcpele::MC | [protected] |
| ~MC() | mcpele::MC | [inline, virtual] |