mcpele  1.0.0
The Monte Carlo Python Energy Landscape Explorer
mcpele::MC Member List
This is the complete list of members for mcpele::MC, including all inherited members.
abort()mcpele::MC [inline]
accept_t typedefmcpele::MC
actions_t typedefmcpele::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 typedefmcpele::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_countmcpele::MC [protected]
m_accept_testsmcpele::MC [protected]
m_actionsmcpele::MC [protected]
m_conf_reject_countmcpele::MC [protected]
m_conf_testsmcpele::MC [protected]
m_coordsmcpele::MC [protected]
m_E_reject_countmcpele::MC [protected]
m_energymcpele::MC
m_late_conf_testsmcpele::MC [protected]
m_nevalmcpele::MC
m_nitermcpele::MC
m_nitercountmcpele::MC [protected]
m_potentialmcpele::MC [protected]
m_print_progressmcpele::MC [protected]
m_successmcpele::MC [protected]
m_take_stepmcpele::MC [protected]
m_temperaturemcpele::MC
m_trial_coordsmcpele::MC [protected]
m_trial_energymcpele::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]
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