FEASST 0.25.11
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FEASST 0.25.11
National Institute of Standards and Technology
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  • C++ Interface »
  • Monte Carlo »
  • <no title>

  • Acceptance
    • Acceptance
      • ln_metropolis_prob()
      • set_ln_metropolis_prob()
      • add_to_ln_metropolis_prob()
      • reject()
      • set_reject()
      • endpoint()
      • set_endpoint()
      • reset()
      • updated()
      • energy_new()
      • set_energy_new()
      • add_to_energy_new()
      • num_configurations()
      • energy_profile_new()
      • set_energy_profile_new()
      • add_to_energy_profile_new()
      • subtract_from_energy_profile_new()
      • energy_old()
      • set_energy_old()
      • add_to_energy_old()
      • energy_profile_old()
      • set_energy_profile_old()
      • add_to_energy_profile_old()
      • energy_ref()
      • set_energy_ref()
      • macrostate_shift()
      • add_to_macrostate_shift()
      • add_to_perturbed()
      • set_perturbed_state()
      • perturbed()
  • TrialCompute
    • TrialCompute
      • compute_rosenbluth()
      • perturb_and_acceptance()
  • TrialComputeTranslate
    • TrialComputeTranslate
      • perturb_and_acceptance()
  • TrialComputeVolume
    • TrialComputeVolume
      • perturb_and_acceptance()
  • TrialComputeRemove
    • TrialComputeRemove
      • perturb_and_acceptance()
  • TrialComputeAdd
    • TrialComputeAdd
      • perturb_and_acceptance()
  • TrialStage
    • TrialStage
      • reference()
      • is_new_only()
      • rosenbluth()
      • num_steps()
      • set()
      • select()
      • precompute()
      • before_select()
      • select()
      • set()
      • perturb()
      • set_mobile_physical()
      • attempt()
      • mid_stage()
      • are_constraints_satisfied()
      • revert()
      • finalize()
      • tune()
      • status_header()
      • status()
      • serialize()
      • TrialStage()
      • TrialStage()
  • MonteCarlo
    • MonteCarlo
      • MonteCarlo()
      • MonteCarlo()
      • begin()
      • parse_args()
      • add_args()
      • resume()
      • clear_arguments()
      • set()
      • random()
      • seed_random()
      • add()
      • configuration()
      • add()
      • add()
      • set()
      • add_to_optimized()
      • add_to_reference()
      • add()
      • set()
      • thermo_params()
      • set()
      • system()
      • initialize_system()
      • trial_factory()
      • analyze_factory()
      • modify_factory()
      • set()
      • criteria()
      • initialize_criteria()
      • add()
      • add()
      • remove_trial()
      • trials()
      • trial()
      • initialize_trials()
      • add()
      • remove_analyze()
      • analyzers()
      • analyze()
      • num_analyzers()
      • initialize_analyzers()
      • add()
      • remove_modify()
      • modifiers()
      • modify()
      • num_modifiers()
      • set()
      • write_checkpoint()
      • run()
      • attempt()
      • reset_trial_stats()
      • run_num_trials()
      • run_until_num_particles()
      • run_for_hours()
      • run_until_complete()
      • run_until_file_exists()
      • set_cycles_to_complete()
      • attempt_trial()
      • write_to_file()
      • next_arg()
      • set_parse_for_num_configs()
      • set_parse_replace()
      • set_replace_with_index()
      • set_timer()
      • timer()
  • Stepper
    • Stepper
      • trials_per_update()
      • trials_per_write()
      • output_file()
      • output_file()
      • output_file_append_phase()
      • empty_output_file()
      • append()
      • rewrite_header()
      • stop_after_phase()
      • start_after_phase()
      • stop_after_cycle()
      • start_after_cycle()
      • configuration_index()
      • configuration()
      • set_state()
      • is_multistate()
      • state()
      • accumulator()
      • get_accumulator()
      • trials_since_update()
      • trials_since_write()
      • is_multistate_aggregate()
      • header()
      • printer()
      • Stepper()
  • Analyze
    • Analyze
      • initialize()
      • trial()
      • update()
      • write()
    • AnalyzeWriteOnly
    • AnalyzeUpdateOnly
  • AnalyzeFactory
    • AnalyzeFactory
      • initialize()
      • add()
      • remove()
      • num()
      • analyzers()
      • analyze()
      • write_to_file()
      • adjust_bounds()
      • trial()
      • set_timer()
      • timer()
  • Modify
    • Modify
      • initialize()
      • trial()
      • update()
      • write()
    • ModifyUpdateOnly
  • ModifyFactory
    • ModifyFactory
      • add()
      • remove()
      • num()
      • modifiers()
      • modify()
      • initialize()
      • write_to_file()
      • adjust_bounds()
      • trial()
      • set_timer()
      • timer()
  • Action
    • Action
  • Remove
    • Remove
  • RemoveModify
    • RemoveModify
  • RefPotential
    • RefPotential
  • RemoveAnalyze
    • RemoveAnalyze
  • WriteCheckpoint
    • WriteCheckpoint
  • OptPotential
    • OptPotential
  • TrialComputeMove
    • TrialComputeMove
      • perturb_and_acceptance()
  • TrialSelect
    • TrialSelect
      • group_index()
      • particle_type()
      • configuration_index()
      • configuration()
      • get_configuration()
      • set_configuration_index()
      • before_select()
      • select()
      • sel()
      • precompute()
      • mobile()
      • set_mobile()
      • mobile_original()
      • set_mobile_original()
      • anchor()
      • anchor_position()
      • set_trial_state()
      • reset_mobile()
      • probability()
      • mid_stage()
      • set_ghost()
      • is_ghost()
      • printable()
      • are_constraints_satisfied()
      • is_particle_type_set()
      • remove_unphysical_sites()
      • replace_mobile()
      • property()
      • has_property()
      • add_or_set_property()
      • is_isotropic()
  • TrialSelectBond
    • TrialSelectBond
      • anchor_site()
      • mobile_site()
      • precompute()
      • select()
  • TrialSelectAngle
    • TrialSelectAngle
      • anchor_site2()
      • precompute()
  • TrialSelectDihedral
    • TrialSelectDihedral
      • precompute()
  • TrialSelectAll
    • TrialSelectAll
      • select()
  • RemoveTrial
    • RemoveTrial
  • Perturb
    • Perturb
      • Perturb()
      • tunable()
      • set_tunable_min_and_max()
      • set_tunable()
      • tune()
      • before_select()
      • mid_stage()
      • perturb()
      • revert_possible()
      • set_revert_possible()
      • revert_select()
      • revert()
      • finalize_possible()
      • set_finalize_possible()
      • finalize_select()
      • finalize()
      • status_header()
      • status()
  • PerturbRemove
    • PerturbRemove
      • perturb()
      • before_select()
      • finalize()
      • revert()
  • TrialSelectParticle
    • TrialSelectParticle
      • load_coordinates()
      • site()
      • random_particle()
      • random_particle()
      • ghost_particle()
      • ghost_particle()
      • select()
      • select_particle()
  • WriteModelParams
    • WriteModelParams
  • Tunable
    • Tunable
      • set_min_and_max()
      • max()
      • min()
      • set_value()
      • value()
      • disable()
      • enable()
      • is_enabled()
      • set_percent_change()
      • set_target()
      • tune()
      • serialize()
      • Tunable()
      • Tunable()
  • PerturbMove
    • PerturbMove
      • move()
      • perturb()
      • revert()
      • finalize()
  • Run
    • Run
  • PerturbVolume
    • PerturbVolume
      • uniform_volume()
      • perturb()
      • change_volume()
      • revert()
      • finalize()
      • PerturbVolume()
  • Constraint
    • Constraint
  • ConstrainNumParticles
    • ConstrainNumParticles
      • type()
      • num_particles()
  • ConstrainVolumeByCutoff
    • ConstrainVolumeByCutoff
  • Trial
    • Trial
      • weight()
      • weight_per_number_fraction()
      • number_fraction_exclude_type()
      • add_stage()
      • add_stage()
      • add_stage()
      • set()
      • num_stages()
      • stage()
      • num_success()
      • num_attempts()
      • num_auto_reject()
      • increment_num_attempts()
      • acceptance()
      • reset_stats()
      • status_header()
      • name_or_description()
      • status()
      • tune()
      • precompute()
      • set()
      • compute()
      • revert()
      • attempt()
      • description()
      • set_description()
      • Trial()
  • TrialMove
    • TrialMove
  • TrialRotate
    • TrialRotate
      • TrialRotate()
  • TrialAdd
    • TrialAdd
  • TrialRemove
    • TrialRemove
  • TrialTranslate
    • TrialTranslate
  • TrialFactory
    • TrialFactory
      • add()
      • remove()
      • num()
      • trial()
      • random_index()
      • attempt()
      • attempt()
      • last_index()
      • cumulative_probability()
      • revert()
      • status_header()
      • status()
      • reset_stats()
      • tune()
      • precompute()
      • set_timer()
      • timer()
    • TrialFactoryNamed
  • TrialTransfer
    • TrialTransfer
  • TrialVolume
    • TrialVolume
  • Criteria
    • Criteria
      • Criteria()
      • add()
      • is_allowed()
      • before_attempt()
      • is_accepted()
      • was_accepted()
      • set_current_energy()
      • current_energy()
      • set_current_energy_profile()
      • current_energy_profile()
      • update_current_energy()
      • status_header()
      • status()
      • write()
      • phase()
      • increment_phase()
      • cycles_to_complete()
      • set_cycles_to_complete()
      • num_cycles()
      • is_complete()
      • set_complete()
      • state()
      • num_states()
      • set_expanded_state()
      • expanded_state()
      • num_expanded_states()
      • update()
      • is_equal()
      • is_equal()
      • initialize()
  • AlwaysReject
    • AlwaysReject
      • AlwaysReject()
      • is_accepted()
  • Metropolis
    • Metropolis
      • Metropolis()
      • is_accepted()
  • PerturbTranslate
    • PerturbTranslate
      • precompute()
      • mid_stage()
      • update_selection()
      • move()
      • move()
  • PerturbDistance
    • PerturbDistance
      • precompute()
      • bond_type()
      • old_bond_energy()
      • random_distance()
      • move()
      • PerturbDistance()
  • PerturbDistanceAngle
    • PerturbDistanceAngle
      • precompute()
      • angle_type()
      • old_angle_energy()
      • random_angle_radians()
      • place_in_circle()
  • PerturbDihedral
    • PerturbDihedral
      • precompute()
      • dihedral_type()
      • old_dihedral_energy()
      • random_dihedral_radians()
      • place_dihedral()
  • PerturbRotate
    • PerturbRotate
      • update_selection()
      • update_eulers()
      • move()
      • move()
      • move()
  • PerturbAnywhere
    • PerturbAnywhere
      • set_position()
      • move()
  • PerturbAdd
    • PerturbAdd
      • PerturbAdd()
      • delay_add()
      • before_select()
      • perturb()
      • add()
      • revert()
      • finalize()
      • status_header()
      • status()
  • Rosenbluth
    • Rosenbluth
      • resize()
      • num()
      • store()
      • set_energy()
      • compute()
      • stored()
      • chosen()
      • chosen_energy()
      • chosen_energy_profile()
      • ln_total_rosenbluth()
      • energy()
      • energy_profile()
      • chosen_step()
      • serialize()
      • Rosenbluth()
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