FEASST 0.25.11
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FEASST 0.25.11
National Institute of Standards and Technology
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  • <no title>

  • Properties
    • Properties
      • add()
      • add_or_set()
      • set()
      • value()
      • value()
      • value()
      • has()
      • check()
      • names()
      • values()
      • set_value()
      • str()
      • num()
      • is_equal()
      • is_equal()
    • PropertiedEntity
      • add_property()
      • add_or_set_property()
      • set_property()
      • properties()
      • property()
      • has_property()
      • set_property()
      • set_properties()
  • NeighborCriteria
    • NeighborCriteria
      • is_accepted()
      • volume()
      • is_position_accepted()
      • serialize()
      • NeighborCriteria()
  • ModelParam
    • ModelParam
      • add()
      • set()
      • add()
      • add()
      • mix()
      • set_mixed()
      • set_max_and_mixed()
      • value()
      • values()
      • mixed_value()
      • mixed_values()
      • size()
      • max()
      • mixed_max()
      • set_param()
      • str()
    • Epsilon
    • Sigma
    • CutOff
    • Charge
    • ModelParams
      • add()
      • mix()
      • size()
      • set()
      • set()
      • set()
      • add()
      • select()
      • index()
      • select()
      • set_cutoff_min_to_sigma()
      • set_physical_constants()
      • set_physical_constants()
      • physical_constants()
      • constants()
      • check()
      • str()
      • deep_copy()
  • Bond
    • Bond
      • type()
      • set_type()
      • site_indices()
      • site()
      • num_sites()
      • add_site_index()
      • set_model()
      • model()
    • Angle
    • Dihedral
    • Improper
  • PhysicalConstants
    • PhysicalConstants
      • number_density_to_grams_per_cm3()
      • grams_per_cm3_to_number_density()
      • boltzmann_constant()
      • avogadro_constant()
      • permitivity_vacuum()
      • elementary_charge()
      • ideal_gas_constant()
      • charge_conversion()
    • CODATA2018
      • boltzmann_constant()
      • avogadro_constant()
      • permitivity_vacuum()
      • elementary_charge()
    • CODATA2014
      • boltzmann_constant()
      • avogadro_constant()
      • permitivity_vacuum()
      • elementary_charge()
    • CODATA2010
      • boltzmann_constant()
      • avogadro_constant()
      • permitivity_vacuum()
      • elementary_charge()
    • PhysicalConstantsCustom
      • boltzmann_constant()
      • avogadro_constant()
      • permitivity_vacuum()
      • elementary_charge()
  • VisitParticles
    • VisitParticles
    • LoopOneBody
  • VisitConfiguration
    • VisitConfiguration
    • LoopConfigOneBody
  • Configuration
    • Configuration
      • serialize()
      • Configuration()
      • add_particle_type()
      • num_particle_types()
      • num_site_types()
      • num_bond_types()
      • num_angle_types()
      • num_dihedral_types()
      • particle_type()
      • type_to_file_name()
      • particle_types()
      • add()
      • model_params()
      • set_model_param()
      • set_model_param()
      • set_model_param()
      • add_model_param()
      • add_or_set_model_param()
      • set_physical_constants()
      • physical_constants()
      • unique_types()
      • unique_type()
      • unique_type()
      • max_sites_in_any_particle()
      • set_site_type()
      • site_type_to_particle_type()
      • num_site_types_per_particle_type()
      • add()
      • num_groups()
      • particle_type_to_group()
      • particle_type_to_group_create()
      • group_index()
      • group_selects()
      • group_select()
      • add_particle_of_type()
      • particle()
      • particle()
      • selection_of_all()
      • num_particles()
      • num_sites()
      • num_particles_of_type()
      • newest_particle()
      • num_sites_of_type()
      • num_sites_of_type()
      • num_sites_of_type()
      • num_sites_of_type()
      • update_positions()
      • update_positions()
      • update_positions()
      • copy_particles()
      • displace_particles()
      • displace_particle()
      • displace()
      • replace_position()
      • remove_particles()
      • remove_particle()
      • set()
      • domain()
      • set_side_lengths()
      • dimension()
      • init_wrap()
      • num_cell_lists()
      • increment_num_cell_lists()
      • revive()
      • particles()
      • select_particle()
      • newest_particle_index()
      • ghosts()
      • wrap_particle()
      • add_non_ghost_particle_of_type()
      • set_selection_physical()
      • set_property()
      • add_site_property()
      • add_or_set_site_property()
      • add_or_set_particle_type_site_property()
      • set_site_property()
      • set_site_property()
      • set_particle_type()
      • add()
      • neighbor_criteria()
      • neighbor_criteria()
      • check()
      • are_all_sites_physical()
      • is_equal()
      • check_dimensions()
      • status_header()
      • status()
      • str()
  • FileVMD
    • FileVMD
      • FileVMD()
  • PrinterXYZ
    • PrinterXYZ
    • FileXYZ
      • load()
      • load_frame()
      • write()
      • FileXYZ()
  • Group
    • Group
      • site_types()
      • particle_types()
      • is_dynamic()
      • is_spatial()
      • is_empty()
      • is_in()
      • is_in()
      • remove_sites()
      • site_indices()
  • Domain
    • Domain
      • side_lengths()
      • side_length()
      • set_side_lengths()
      • set_side_length()
      • add_side_length()
      • set_cubic()
      • is_cubic()
      • xy()
      • xz()
      • yz()
      • disable()
      • periodic()
      • dimension()
      • volume()
      • h()
      • h_inv()
      • cartesian2scaled()
      • cartesian2scaled_wrap()
      • shift()
      • shift_opt()
      • wrap()
      • random_position()
      • random_position()
      • min_side_length()
      • max_side_length()
      • inscribed_sphere_diameter()
      • is_minimum_image_for_cutoff()
      • unwrap()
      • status_header()
      • status()
  • Site
    • Site
      • type()
      • set_type()
      • set_position()
      • add_position()
      • position()
      • position()
      • Site()
      • displace()
      • add_property()
      • is_physical()
      • set_physical()
      • add_cell()
      • set_cell()
      • cell()
      • num_cells()
      • set_anisotropic()
      • set_euler()
      • euler()
      • is_anisotropic()
  • Particle
    • Particle
      • max_distance()
      • add()
      • site()
      • set_site()
      • sites()
      • num_sites()
      • remove_site()
      • is_isotropic()
      • set_site_physical()
      • check()
      • increment_site_types()
      • remove_non_unique_types()
      • set_site_type()
      • num_sites_of_type()
      • displace()
      • replace_position()
      • replace_position()
      • replace_properties()
      • add_site_property()
      • add_or_set_site_property()
      • set_site_property()
      • num_bonds()
      • bond()
      • bonds()
      • add_bond()
      • add_bond_property()
      • add_bond_model()
      • erase_bonds()
      • bond()
      • bond_neighbors()
      • num_angles()
      • angle()
      • angles()
      • add_angle()
      • add_angle_property()
      • add_angle_model()
      • angle()
      • angle_neighbors()
      • num_dihedrals()
      • dihedral()
      • dihedrals()
      • add_dihedral()
      • add_dihedral_property()
      • add_dihedral_model()
      • dihedral()
      • dihedral_neighbors()
      • type()
      • set_type()
  • ParticleFactory
    • ParticleFactory
      • unique_particles()
      • unique_types()
      • check_types()
      • check_types()
      • check_site_types()
      • check_particle_types()
      • check_bond_types()
      • check_angle_types()
      • check_dihedral_types()
      • add()
      • add()
      • remove()
      • particle()
      • particles()
      • num()
      • replace_position()
      • replace_position()
      • replace_properties()
      • scale_particle_positions()
      • check()
      • num_site_types()
      • num_sites()
      • num_particle_types()
      • num_bond_types()
      • num_bonds()
      • num_angle_types()
      • num_angles()
      • num_dihedral_types()
      • num_dihedrals()
      • set_site_type()
      • remove()
      • displace()
      • model_params()
      • add()
      • set_model_param()
      • set_model_param()
      • set_model_param()
      • add_model_param()
      • add_or_set_model_param()
      • set_cutoff_min_to_sigma()
      • set_physical_constants()
      • set_site_physical()
      • add_property()
      • add_property()
      • set_property()
      • add_site_property()
      • add_or_set_site_property()
      • set_site_property()
      • set_site_property()
  • FileParticle
    • FileParticle
      • read()
      • read_properties()
  • Select
    • Select
      • check()
      • is_equal()
      • random_particle()
      • str()
      • is_empty()
      • clear()
      • add_site()
      • set_site()
      • set_particle()
      • add_sites()
      • remove_sites()
      • add_particle()
      • add_particle()
      • num_particles()
      • num_sites()
      • add()
      • remove()
      • remove_last_particle()
      • remove_last_site()
      • remove_last_sites()
      • remove_first_site()
      • remove_first_sites()
      • remove_particle()
      • particle_indices()
      • site_indices()
      • site_indices()
      • replace_indices()
      • is_overlap()
      • is_group_empty()
      • set_group()
      • group()
      • Select()
      • Select()
      • has_positions()
      • site_positions()
      • site_properties()
      • set_site_position()
      • set_site_position()
      • add_to_site_position()
      • set_site_properties()
      • load_position()
      • load_positions()
      • load_positions_of_last()
      • geometric_center()
      • trial_state()
      • set_trial_state()
      • exclude()
      • excluded()
      • set_new_bond()
      • new_bond()
      • set_old_bond()
      • old_bond()
      • reset_excluded_and_bond()
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