Struct holding all information for one particle. More...

#include <Particle.hpp>

Public Member Functions
auto const &	id () const

auto &	id ()

auto const &	mol_id () const

auto &	mol_id ()

auto const &	type () const

auto &	type ()

auto const &	propagation () const

auto &	propagation ()

bool	operator== (Particle const &rhs) const

bool	operator!= (Particle const &rhs) const

auto const &	bonds () const

auto &	bonds ()

auto const &	pos () const

auto &	pos ()

auto const &	v () const

auto &	v ()

auto const &	force () const

auto &	force ()

auto const &	force_and_torque () const

auto &	force_and_torque ()

bool	is_ghost () const

void	set_ghost (bool const ghost_flag)

auto &	pos_at_last_verlet_update ()

auto const &	pos_at_last_verlet_update () const

auto const &	image_box () const

auto &	image_box ()

auto const &	lees_edwards_offset () const

auto &	lees_edwards_offset ()

auto const &	lees_edwards_flag () const

auto &	lees_edwards_flag ()

auto const &	mass () const

auto &	mass ()

auto const &	rotation () const

auto &	rotation ()

bool	can_rotate () const

bool	can_rotate_around (unsigned int const axis) const

void	set_can_rotate_around (unsigned int const axis, bool const rot_flag)

void	set_can_rotate_all_axes ()

void	set_cannot_rotate_all_axes ()

auto const &	quat () const

auto &	quat ()

auto const &	torque () const

auto &	torque ()

auto const &	omega () const

auto &	omega ()

auto const &	ext_torque () const

auto &	ext_torque ()

auto	calc_director () const

auto const &	dipm () const

auto &	dipm ()

auto	calc_dip () const

auto const &	stoner_wohlfarth_is_enabled () const

auto &	stoner_wohlfarth_is_enabled ()

auto const &	stoner_wohlfarth_phi_0 () const

auto &	stoner_wohlfarth_phi_0 ()

auto const &	saturation_magnetization () const

auto &	saturation_magnetization ()

auto const &	magnetic_anisotropy_field_inv () const

auto &	magnetic_anisotropy_field_inv ()

auto const &	magnetic_anisotropy_energy () const

auto &	magnetic_anisotropy_energy ()

auto const &	stoner_wohlfarth_tau0_inv () const

auto &	stoner_wohlfarth_tau0_inv ()

auto const &	stoner_wohlfarth_dt_incr () const

auto &	stoner_wohlfarth_dt_incr ()

auto const &	dip_fld () const

auto &	dip_fld ()

auto const &	rinertia () const

auto &	rinertia ()

auto const &	q () const

auto &	q ()

auto const &	mu_E () const

auto &	mu_E ()

auto	is_virtual () const

auto const &	vs_relative () const

auto &	vs_relative ()

auto const &	vs_com () const

auto &	vs_com ()

auto const &	gamma () const

auto &	gamma ()

auto const &	gamma_rot () const

auto &	gamma_rot ()

auto const &	fixed () const

auto &	fixed ()

bool	has_fixed_coordinates () const

bool	is_fixed_along (unsigned int const axis) const

void	set_fixed_along (int const axis, bool const fixed_flag)

auto const &	ext_force () const

auto &	ext_force ()

auto const &	swimming () const

auto &	swimming ()

auto const &	pos_last_time_step () const

auto &	pos_last_time_step ()

auto const &	rattle_params () const

auto &	rattle_params ()

auto const &	rattle_correction () const

auto &	rattle_correction ()

Utils::compact_vector< int > &	exclusions ()

Utils::compact_vector< int > const &	exclusions () const

bool	has_exclusion (int pid) const

Detailed Description

Struct holding all information for one particle.

Definition at line 450 of file Particle.hpp.

Member Function Documentation

◆ bonds() [1/2]

auto & Particle::bonds ( )

inline

Definition at line 484 of file Particle.hpp.

◆ bonds() [2/2]

auto const & Particle::bonds ( ) const

inline

Definition at line 483 of file Particle.hpp.

Referenced by add_bond(), PairCriteria::BondCriterion::decide(), CollisionDetection::detect_collision_common(), ScriptInterface::Particles::ParticleHandle::do_call_method(), CollisionDetection::GlueToSurface::handle_collisions(), BondedInteractionsMap::pair_bond_exists_on(), BondBreakage::remove_bond(), BondBreakage::remove_pair_bonds_to(), ScriptInterface::Particles::set_particles_bonds(), and vol_cons_parameters().

◆ calc_dip()

auto Particle::calc_dip ( ) const

inline

Definition at line 550 of file Particle.hpp.

References calc_director(), and dipm().

Referenced by Constraints::HomogeneousMagneticField::add_energy(), DipolarLayerCorrection::add_force_corrections(), add_non_bonded_pair_force_with_p(), calc_slab_dipole(), dipolar_energy_correction(), dipolar_force_corrections(), ParticleObservables::traits< Particle >::dipole_moment(), Constraints::HomogeneousMagneticField::force(), DipolarP3M::pair_energy(), and ScriptInterface::Particles::ParticleHandle::ParticleHandle().

◆ calc_director()

auto Particle::calc_director ( ) const

inline

Definition at line 542 of file Particle.hpp.

References ParticlePosition::calc_director().

Referenced by calc_dip(), ParticleObservables::traits< Particle >::director(), and external_force().

◆ can_rotate()

bool Particle::can_rotate ( ) const

inline

Definition at line 515 of file Particle.hpp.

References ParticleProperties::rotation.

Referenced by brownian_dynamics_rotator(), convert_torque_propagate_omega(), local_rotate_particle_body(), propagate_omega_quat_particle(), symplectic_euler_rotator_1(), velocity_verlet_rotator_1(), and velocity_verlet_rotator_2().

◆ can_rotate_around()

bool Particle::can_rotate_around ( unsigned int const axis ) const

inline

Definition at line 516 of file Particle.hpp.

References ParticleProperties::rotation.

Referenced by bd_drag_rot(), bd_drag_vel_rot(), bd_random_walk_rot(), bd_random_walk_vel_rot(), and define_Qdd().

◆ dip_fld() [1/2]

auto & Particle::dip_fld ( )

inline

Definition at line 584 of file Particle.hpp.

References ParticleProperties::dip_fld.

◆ dip_fld() [2/2]

auto const & Particle::dip_fld ( ) const

inline

Definition at line 583 of file Particle.hpp.

References ParticleProperties::dip_fld.

Referenced by ParticleObservables::traits< Particle >::dipole_field(), ScriptInterface::Particles::ParticleHandle::ParticleHandle(), reinit_dip_fld(), and run_magnetodynamics().

◆ dipm() [1/2]

auto & Particle::dipm ( )

inline

Definition at line 549 of file Particle.hpp.

References ParticleProperties::dipm.

◆ dipm() [2/2]

auto const & Particle::dipm ( ) const

inline

Definition at line 548 of file Particle.hpp.

References ParticleProperties::dipm.

Referenced by DipolarLayerCorrection::add_force_corrections(), add_non_bonded_pair_force_with_p(), calc_dip(), calc_slab_dipole(), commit_particle(), count_magnetic_particles(), dipolar_energy_correction(), dipolar_force_corrections(), VerletCriterion< CutoffGetter >::operator()(), DipolarP3M::pair_energy(), ScriptInterface::Particles::ParticleHandle::ParticleHandle(), serialize_and_reduce(), stoner_wohlfarth_main(), and stoner_wohlfarth_no_field().

◆ exclusions() [1/2]

Utils::compact_vector< int > & Particle::exclusions ( )

inline

Definition at line 665 of file Particle.hpp.

Referenced by add_exclusion(), commit_particle(), delete_exclusion(), ScriptInterface::Particles::ParticleHandle::do_call_method(), and do_nonbonded().

◆ exclusions() [2/2]

Utils::compact_vector< int > const & Particle::exclusions ( ) const

inline

Definition at line 666 of file Particle.hpp.

◆ ext_force() [1/2]

auto & Particle::ext_force ( )

inline

Definition at line 646 of file Particle.hpp.

References ParticleProperties::ext_force.

◆ ext_force() [2/2]

auto const & Particle::ext_force ( ) const

inline

Definition at line 645 of file Particle.hpp.

References ParticleProperties::ext_force.

Referenced by external_force(), ScriptInterface::Particles::ParticleHandle::ParticleHandle(), and serialize_and_reduce().

◆ ext_torque() [1/2]

auto & Particle::ext_torque ( )

inline

Definition at line 540 of file Particle.hpp.

References ParticleProperties::ext_torque.

◆ ext_torque() [2/2]

auto const & Particle::ext_torque ( ) const

inline

Definition at line 539 of file Particle.hpp.

References ParticleProperties::ext_torque.

Referenced by external_force(), ScriptInterface::Particles::ParticleHandle::ParticleHandle(), and serialize_and_reduce().

◆ fixed() [1/2]

auto & Particle::fixed ( )

inline

Definition at line 631 of file Particle.hpp.

References ParticleProperties::ext_flag.

◆ fixed() [2/2]

auto const & Particle::fixed ( ) const

inline

Definition at line 630 of file Particle.hpp.

References ParticleProperties::ext_flag.

Referenced by ScriptInterface::Particles::ParticleHandle::ParticleHandle(), and serialize_and_reduce().

◆ force() [1/2]

auto & Particle::force ( )

inline

Definition at line 491 of file Particle.hpp.

References ParticleForce::f.

◆ force() [2/2]

auto const & Particle::force ( ) const

inline

◆ force_and_torque() [1/2]

auto & Particle::force_and_torque ( )

inline

Definition at line 493 of file Particle.hpp.

◆ force_and_torque() [2/2]

auto const & Particle::force_and_torque ( ) const

inline

Definition at line 492 of file Particle.hpp.

Referenced by add_non_bonded_pair_force(), init_forces_and_thermostat(), and init_forces_ghosts().

◆ gamma() [1/2]

auto & Particle::gamma ( )

inline

Definition at line 623 of file Particle.hpp.

References ParticleProperties::gamma.

◆ gamma() [2/2]

auto const & Particle::gamma ( ) const

inline

Definition at line 622 of file Particle.hpp.

References ParticleProperties::gamma.

Referenced by bd_drag(), bd_drag_vel(), bd_random_walk(), friction_thermo_langevin(), LB::lb_coupling_sanity_checks(), lb_handle_particle_anisotropy(), ScriptInterface::Particles::ParticleHandle::ParticleHandle(), and serialize_and_reduce().

◆ gamma_rot() [1/2]

auto & Particle::gamma_rot ( )

inline

Definition at line 626 of file Particle.hpp.

References ParticleProperties::gamma_rot.

◆ gamma_rot() [2/2]

auto const & Particle::gamma_rot ( ) const

inline

Definition at line 625 of file Particle.hpp.

References ParticleProperties::gamma_rot.

Referenced by bd_drag_rot(), bd_drag_vel_rot(), bd_random_walk_rot(), friction_thermo_langevin_rotation(), ScriptInterface::Particles::ParticleHandle::ParticleHandle(), and serialize_and_reduce().

◆ has_exclusion()

bool Particle::has_exclusion ( int pid ) const

inline

Definition at line 667 of file Particle.hpp.

Referenced by ScriptInterface::Particles::ParticleHandle::do_call_method().

◆ has_fixed_coordinates()

bool Particle::has_fixed_coordinates ( ) const

inline

Definition at line 632 of file Particle.hpp.

References ParticleProperties::ext_flag.

◆ id() [1/2]

auto & Particle::id ( )

inline

Definition at line 470 of file Particle.hpp.

References ParticleProperties::identity.

◆ id() [2/2]

auto const & Particle::id ( ) const

inline

Definition at line 469 of file Particle.hpp.

References ParticleProperties::identity.

Referenced by add_bonded_force(), Constraints::ShapeBasedConstraint::add_energy(), add_non_bonded_pair_force_with_p(), ClusterAnalysis::Cluster::add_particle(), bd_random_walk(), bd_random_walk_rot(), bd_random_walk_vel(), bd_random_walk_vel_rot(), BondBreakage::bond_handler(), CellStructure::check_particle_index(), commit_particle(), PairCriteria::BondCriterion::decide(), CollisionDetection::CollisionDetection::detect_collision(), CollisionDetection::detect_collision_common(), do_nonbonded(), Constraints::ShapeBasedConstraint::force(), ThermalizedBond::forces(), friction_thermo_langevin(), friction_thermo_langevin_rotation(), get_neighbor_pids(), LB::ParticleCoupling::get_noise_term(), get_reference_particle(), ParticleObservables::traits< Particle >::id(), LB::lb_coupling_sanity_checks(), operator!=(), operator==(), BondedInteractionsMap::pair_bond_exists_on(), ClusterAnalysis::ClusterStructure::part_of_cluster(), System::System::particle_bond_energy(), AtomDecomposition::particle_to_cell(), AtomDecomposition::particle_to_cell(), run_magnetodynamics(), serialize_and_reduce(), CellStructure::set_index_map(), LB::CouplingBookkeeping::should_be_coupled(), CellStructure::update_particle_index(), CellStructure::update_particle_index(), vs_com_back_transfer_forces_and_torques(), vs_com_update_particles(), vs_relate_to(), and Writer::H5md::File::write().

◆ image_box() [1/2]

auto & Particle::image_box ( )

inline

Definition at line 500 of file Particle.hpp.

References ParticlePosition::i.

◆ image_box() [2/2]

auto const & Particle::image_box ( ) const

inline

Definition at line 499 of file Particle.hpp.

References ParticlePosition::i.

Referenced by add_oif_global_forces(), calc_dipole_moment(), OifLocalForcesBond::calc_forces(), calc_oif_mesh(), fold_and_reset(), GatherPos::kernel(), GatherCom::kernel(), LeesEdwards::Push::operator()(), ParticleObservables::traits< Particle >::position(), serialize_and_reduce(), vs_com_update_particles(), and vs_relative_update_particles().

◆ is_fixed_along()

bool Particle::is_fixed_along ( unsigned int const axis ) const

inline

Definition at line 633 of file Particle.hpp.

References ParticleProperties::ext_flag.

Referenced by bd_drag(), bd_drag_vel(), bd_random_walk(), bd_random_walk_vel(), symplectic_euler_propagator_1(), velocity_verlet_propagator_1(), and velocity_verlet_propagator_2().

◆ is_ghost()

bool Particle::is_ghost ( ) const

inline

Definition at line 495 of file Particle.hpp.

References ParticleLocal::ghost.

Referenced by CollisionDetection::detect_collision_common(), CellStructure::find_current_cell(), CollisionDetection::BindAtPointOfCollision::handle_collisions(), CollisionDetection::GlueToSurface::handle_collisions(), System::System::particle_bond_energy(), and LB::CouplingBookkeeping::should_be_coupled().

◆ is_virtual()

auto Particle::is_virtual ( ) const

inline

Definition at line 603 of file Particle.hpp.

References ParticleProperties::propagation, PropagationMode::ROT_VS_INDEPENDENT, PropagationMode::ROT_VS_RELATIVE, PropagationMode::TRANS_LB_TRACER, PropagationMode::TRANS_VS_CENTER_OF_MASS, and PropagationMode::TRANS_VS_RELATIVE.

Referenced by add_kinetic_virials(), CollisionDetection::detect_collision_common(), ScriptInterface::Particles::ParticleHandle::do_call_method(), integrator_step_1(), integrator_step_2(), ParticleObservables::traits< Particle >::mass(), FieldCoupling::Coupling::Mass::operator()(), run_magnetodynamics(), translational_kinetic_energy(), and vs_com_update_particles().

◆ lees_edwards_flag() [1/2]

auto & Particle::lees_edwards_flag ( )

inline

Definition at line 504 of file Particle.hpp.

References ParticleLocal::lees_edwards_flag.

◆ lees_edwards_flag() [2/2]

auto const & Particle::lees_edwards_flag ( ) const

inline

Definition at line 503 of file Particle.hpp.

References ParticleLocal::lees_edwards_flag.

Referenced by LeesEdwards::Push::operator()(), and ScriptInterface::Particles::ParticleHandle::ParticleHandle().

◆ lees_edwards_offset() [1/2]

auto & Particle::lees_edwards_offset ( )

inline

Definition at line 502 of file Particle.hpp.

References ParticleLocal::lees_edwards_offset.

◆ lees_edwards_offset() [2/2]

auto const & Particle::lees_edwards_offset ( ) const

inline

Definition at line 501 of file Particle.hpp.

References ParticleLocal::lees_edwards_offset.

Referenced by LeesEdwards::Push::operator()(), and ScriptInterface::Particles::ParticleHandle::ParticleHandle().

◆ magnetic_anisotropy_energy() [1/2]

auto & Particle::magnetic_anisotropy_energy ( )

inline

Definition at line 572 of file Particle.hpp.

References ThermalStonerWohlfarthParameters::ani_energy, and ParticleProperties::magnetodynamics.

◆ magnetic_anisotropy_energy() [2/2]

auto const & Particle::magnetic_anisotropy_energy ( ) const

inline

Definition at line 569 of file Particle.hpp.

References ThermalStonerWohlfarthParameters::ani_energy, and ParticleProperties::magnetodynamics.

Referenced by ScriptInterface::Particles::ParticleHandle::ParticleHandle(), stoner_wohlfarth_main(), and stoner_wohlfarth_no_field().

◆ magnetic_anisotropy_field_inv() [1/2]

auto & Particle::magnetic_anisotropy_field_inv ( )

inline

Definition at line 566 of file Particle.hpp.

References ThermalStonerWohlfarthParameters::ani_fld_inv, and ParticleProperties::magnetodynamics.

◆ magnetic_anisotropy_field_inv() [2/2]

auto const & Particle::magnetic_anisotropy_field_inv ( ) const

inline

Definition at line 563 of file Particle.hpp.

References ThermalStonerWohlfarthParameters::ani_fld_inv, and ParticleProperties::magnetodynamics.

Referenced by ScriptInterface::Particles::ParticleHandle::ParticleHandle(), and stoner_wohlfarth_main().

◆ mass() [1/2]

auto & Particle::mass ( )

inline

Definition at line 508 of file Particle.hpp.

References ParticleProperties::mass.

◆ mass() [2/2]

auto const & Particle::mass ( ) const

inline

◆ mol_id() [1/2]

auto & Particle::mol_id ( )

inline

Definition at line 472 of file Particle.hpp.

References ParticleProperties::mol_id.

◆ mol_id() [2/2]

auto const & Particle::mol_id ( ) const

inline

Definition at line 471 of file Particle.hpp.

References ParticleProperties::mol_id.

Referenced by Constraints::ShapeBasedConstraint::add_energy(), add_non_bonded_pair_energy(), add_non_bonded_pair_virials(), add_oif_global_forces(), calc_oif_mesh(), ScriptInterface::Particles::ParticleHandle::ParticleHandle(), serialize_and_reduce(), vs_com_back_transfer_forces_and_torques(), and vs_com_update_particles().

◆ mu_E() [1/2]

auto & Particle::mu_E ( )

inline

Definition at line 600 of file Particle.hpp.

References ParticleProperties::mu_E.

◆ mu_E() [2/2]

auto const & Particle::mu_E ( ) const

inline

Definition at line 599 of file Particle.hpp.

References ParticleProperties::mu_E.

Referenced by lb_drag_force(), ScriptInterface::Particles::ParticleHandle::ParticleHandle(), and serialize_and_reduce().

◆ omega() [1/2]

auto & Particle::omega ( )

inline

Definition at line 537 of file Particle.hpp.

References ParticleMomentum::omega.

◆ omega() [2/2]

auto const & Particle::omega ( ) const

inline

Definition at line 536 of file Particle.hpp.

References ParticleMomentum::omega.

Referenced by ParticleObservables::traits< Particle >::angular_velocity(), ParticleObservables::traits< Particle >::angular_velocity_body(), brownian_dynamics_rotator(), convert_torque_propagate_omega(), define_Qdd(), friction_thermo_langevin_rotation(), ScriptInterface::Particles::ParticleHandle::ParticleHandle(), propagate_omega_quat_particle(), serialize_and_reduce(), and velocity().

◆ operator!=()

bool Particle::operator!= ( Particle const & rhs ) const

inline

Definition at line 481 of file Particle.hpp.

References id().

◆ operator==()

bool Particle::operator== ( Particle const & rhs ) const

inline

Definition at line 479 of file Particle.hpp.

References id().

◆ pos() [1/2]

auto & Particle::pos ( )

inline

Definition at line 487 of file Particle.hpp.

References ParticlePosition::p.

◆ pos() [2/2]

auto const & Particle::pos ( ) const

inline

Definition at line 486 of file Particle.hpp.

References ParticlePosition::p.

Referenced by add_bonded_force(), add_bonded_two_body_force(), add_non_bonded_pair_energy(), add_non_bonded_pair_force_with_p(), add_oif_global_forces(), apply_positional_correction(), BondBreakage::bond_handler(), brownian_dynamics_propagator(), calc_bonded_energy(), calc_bonded_four_body_force(), calc_bonded_three_body_force(), calc_bonded_three_body_pressure_tensor(), calc_bonded_virial_pressure_tensor(), calc_dipole_moment(), IBMTribend::calc_forces(), OifLocalForcesBond::calc_forces(), calc_oif_mesh(), calculate_positional_correction(), calculate_velocity_correction(), calculate_vs_relate_to_params(), ClusterAnalysis::Cluster::center_of_mass_subcluster(), commit_particle(), PairCriteria::DistanceCriterion::decide(), PairCriteria::EnergyCriterion::decide(), dipolar_energy_correction(), dipolar_force_corrections(), dpd_viscous_stress_local(), BondedCoulombSR::energy(), fold_and_reset(), Constraints::ShapeBasedConstraint::force(), get_ibm_particle_position(), CollisionDetection::BindAtPointOfCollision::handle_collisions(), CollisionDetection::GlueToSurface::handle_collisions(), GatherPos::kernel(), GatherCom::kernel(), ClusterAnalysis::Cluster::longest_distance(), LeesEdwards::Push::operator()(), RegularDecomposition::particle_to_cell(), RegularDecomposition::particle_to_cell(), ParticleObservables::traits< Particle >::position(), ParticleObservables::traits< Particle >::position_folded(), ClusterAnalysis::Cluster::radius_of_gyration_subcluster(), serialize_and_reduce(), setup_PoQ(), setup_PQ(), symplectic_euler_propagator_1(), thole_pair_energy(), velocity_verlet_propagator_1(), vs_com_update_particles(), and vs_relative_update_particles().

◆ pos_at_last_verlet_update() [1/2]

auto & Particle::pos_at_last_verlet_update ( )

inline

Definition at line 497 of file Particle.hpp.

References ParticleLocal::p_old.

Referenced by fold_and_reset().

◆ pos_at_last_verlet_update() [2/2]

auto const & Particle::pos_at_last_verlet_update ( ) const

inline

Definition at line 498 of file Particle.hpp.

References ParticleLocal::p_old.

◆ pos_last_time_step() [1/2]

auto & Particle::pos_last_time_step ( )

inline

Definition at line 657 of file Particle.hpp.

References ParticlePosition::p_last_timestep.

◆ pos_last_time_step() [2/2]

auto const & Particle::pos_last_time_step ( ) const

inline

Definition at line 656 of file Particle.hpp.

References ParticlePosition::p_last_timestep.

Referenced by calculate_positional_correction(), and serialize_and_reduce().

◆ propagation() [1/2]

auto & Particle::propagation ( )

inline

Definition at line 477 of file Particle.hpp.

References ParticleProperties::propagation.

◆ propagation() [2/2]

auto const & Particle::propagation ( ) const

inline

Definition at line 476 of file Particle.hpp.

References ParticleProperties::propagation.

Referenced by LB::is_tracer(), is_vs_com(), is_vs_independent_rot(), is_vs_relative_rot(), is_vs_relative_trans(), PropagationPredicate< Predicate >::operator()(), ScriptInterface::Particles::ParticleHandle::ParticleHandle(), serialize_and_reduce(), LB::CouplingBookkeeping::should_be_coupled(), Propagation::should_propagate_with(), and vs_relate_to().

◆ q() [1/2]

auto & Particle::q ( )

inline

Definition at line 594 of file Particle.hpp.

References ParticleProperties::q.

◆ q() [2/2]

auto const & Particle::q ( ) const

inline

Definition at line 593 of file Particle.hpp.

References ParticleProperties::q.

Referenced by add_non_bonded_pair_energy(), add_non_bonded_pair_virials(), calc_bond_pair_force(), calc_bonded_energy(), calc_dipole_moment(), calc_total_charge(), ParticleObservables::traits< Particle >::charge(), commit_particle(), FieldCoupling::Coupling::Charge::operator()(), VerletCriterion< CutoffGetter >::operator()(), ScriptInterface::Particles::ParticleHandle::ParticleHandle(), serialize_and_reduce(), ScriptInterface::Particles::set_particles_charges(), setup_PoQ(), setup_PQ(), and Writer::H5md::File::write().

◆ quat() [1/2]

auto & Particle::quat ( )

inline

Definition at line 533 of file Particle.hpp.

References ParticlePosition::quat.

◆ quat() [2/2]

auto const & Particle::quat ( ) const

inline

◆ rattle_correction() [1/2]

auto & Particle::rattle_correction ( )

inline

Definition at line 661 of file Particle.hpp.

References ParticleRattle::correction.

◆ rattle_correction() [2/2]

auto const & Particle::rattle_correction ( ) const

inline

Definition at line 660 of file Particle.hpp.

References ParticleRattle::correction.

Referenced by serialize_and_reduce().

◆ rattle_params() [1/2]

auto & Particle::rattle_params ( )

inline

Definition at line 659 of file Particle.hpp.

◆ rattle_params() [2/2]

auto const & Particle::rattle_params ( ) const

inline

Definition at line 658 of file Particle.hpp.

Referenced by apply_positional_correction(), apply_velocity_correction(), calculate_positional_correction(), and calculate_velocity_correction().

◆ rinertia() [1/2]

auto & Particle::rinertia ( )

inline

Definition at line 588 of file Particle.hpp.

References ParticleProperties::rinertia.

◆ rinertia() [2/2]

auto const & Particle::rinertia ( ) const

inline

Definition at line 587 of file Particle.hpp.

References ParticleProperties::rinertia.

Referenced by bd_random_walk_vel_rot(), convert_torque_propagate_omega(), define_Qdd(), ScriptInterface::Particles::ParticleHandle::ParticleHandle(), and serialize_and_reduce().

◆ rotation() [1/2]

auto & Particle::rotation ( )

inline

Definition at line 514 of file Particle.hpp.

References ParticleProperties::rotation.

◆ rotation() [2/2]

auto const & Particle::rotation ( ) const

inline

Definition at line 513 of file Particle.hpp.

References ParticleProperties::rotation.

Referenced by bd_drag_rot(), bd_drag_vel_rot(), bd_random_walk_rot(), bd_random_walk_vel_rot(), convert_torque_to_body_frame_apply_fix(), local_rotate_particle_body(), ScriptInterface::Particles::ParticleHandle::ParticleHandle(), propagate_omega_quat_particle(), and serialize_and_reduce().

◆ saturation_magnetization() [1/2]

auto & Particle::saturation_magnetization ( )

inline

Definition at line 562 of file Particle.hpp.

References ParticleProperties::magnetodynamics, and ThermalStonerWohlfarthParameters::sat_mag.

◆ saturation_magnetization() [2/2]

auto const & Particle::saturation_magnetization ( ) const

inline

Definition at line 559 of file Particle.hpp.

References ParticleProperties::magnetodynamics, and ThermalStonerWohlfarthParameters::sat_mag.

Referenced by ScriptInterface::Particles::ParticleHandle::ParticleHandle(), stoner_wohlfarth_main(), and stoner_wohlfarth_no_field().

◆ set_can_rotate_all_axes()

void Particle::set_can_rotate_all_axes ( )

inline

Definition at line 528 of file Particle.hpp.

References ParticleProperties::rotation.

Referenced by CollisionDetection::BindAtPointOfCollision::handle_collisions().

◆ set_can_rotate_around()

void Particle::set_can_rotate_around	(	unsigned int const	axis,
		bool const	rot_flag
	)

inline

Definition at line 520 of file Particle.hpp.

References ParticleProperties::rotation.

◆ set_cannot_rotate_all_axes()

void Particle::set_cannot_rotate_all_axes ( )

inline

Definition at line 529 of file Particle.hpp.

References ParticleProperties::rotation.

◆ set_fixed_along()

void Particle::set_fixed_along	(	int const	axis,
		bool const	fixed_flag
	)

inline

Definition at line 637 of file Particle.hpp.

References ParticleProperties::ext_flag.

◆ set_ghost()

void Particle::set_ghost ( bool const ghost_flag )

inline

Definition at line 496 of file Particle.hpp.

References ParticleLocal::ghost.

◆ stoner_wohlfarth_dt_incr() [1/2]

auto & Particle::stoner_wohlfarth_dt_incr ( )

inline

Definition at line 580 of file Particle.hpp.

References ThermalStonerWohlfarthParameters::dt_incr, and ParticleProperties::magnetodynamics.

◆ stoner_wohlfarth_dt_incr() [2/2]

auto const & Particle::stoner_wohlfarth_dt_incr ( ) const

inline

Definition at line 577 of file Particle.hpp.

References ThermalStonerWohlfarthParameters::dt_incr, and ParticleProperties::magnetodynamics.

Referenced by ScriptInterface::Particles::ParticleHandle::ParticleHandle(), stoner_wohlfarth_main(), and stoner_wohlfarth_no_field().

◆ stoner_wohlfarth_is_enabled() [1/2]

auto & Particle::stoner_wohlfarth_is_enabled ( )

inline

Definition at line 556 of file Particle.hpp.

References ThermalStonerWohlfarthParameters::is_enabled, and ParticleProperties::magnetodynamics.

◆ stoner_wohlfarth_is_enabled() [2/2]

auto const & Particle::stoner_wohlfarth_is_enabled ( ) const

inline

Definition at line 553 of file Particle.hpp.

References ThermalStonerWohlfarthParameters::is_enabled, and ParticleProperties::magnetodynamics.

Referenced by ScriptInterface::Particles::ParticleHandle::ParticleHandle(), and run_magnetodynamics().

◆ stoner_wohlfarth_phi_0() [1/2]

auto & Particle::stoner_wohlfarth_phi_0 ( )

inline

Definition at line 558 of file Particle.hpp.

References ParticleProperties::magnetodynamics, and ThermalStonerWohlfarthParameters::phi0.

◆ stoner_wohlfarth_phi_0() [2/2]

auto const & Particle::stoner_wohlfarth_phi_0 ( ) const

inline

Definition at line 557 of file Particle.hpp.

References ParticleProperties::magnetodynamics, and ThermalStonerWohlfarthParameters::phi0.

Referenced by ScriptInterface::Particles::ParticleHandle::ParticleHandle(), stoner_wohlfarth_main(), and stoner_wohlfarth_no_field().

◆ stoner_wohlfarth_tau0_inv() [1/2]

auto & Particle::stoner_wohlfarth_tau0_inv ( )

inline

Definition at line 576 of file Particle.hpp.

References ParticleProperties::magnetodynamics, and ThermalStonerWohlfarthParameters::tau0_inv.

◆ stoner_wohlfarth_tau0_inv() [2/2]

auto const & Particle::stoner_wohlfarth_tau0_inv ( ) const

inline

Definition at line 573 of file Particle.hpp.

References ParticleProperties::magnetodynamics, and ThermalStonerWohlfarthParameters::tau0_inv.

Referenced by ScriptInterface::Particles::ParticleHandle::ParticleHandle(), stoner_wohlfarth_main(), and stoner_wohlfarth_no_field().

◆ swimming() [1/2]

auto & Particle::swimming ( )

inline

Definition at line 653 of file Particle.hpp.

References ParticleProperties::swim.

◆ swimming() [2/2]

auto const & Particle::swimming ( ) const

inline

Definition at line 652 of file Particle.hpp.

References ParticleProperties::swim.

Referenced by external_force(), ScriptInterface::Particles::ParticleHandle::ParticleHandle(), and serialize_and_reduce().

◆ torque() [1/2]

auto & Particle::torque ( )

inline

Definition at line 535 of file Particle.hpp.

References ParticleForce::torque.

◆ torque() [2/2]

auto const & Particle::torque ( ) const

inline

Definition at line 534 of file Particle.hpp.

References ParticleForce::torque.

Referenced by DipolarLayerCorrection::add_force_corrections(), bd_drag_rot(), bd_drag_vel_rot(), convert_torque_propagate_omega(), convert_torque_to_body_frame_apply_fix(), define_Qdd(), init_forces_and_thermostat(), ScriptInterface::Particles::ParticleHandle::ParticleHandle(), serialize_and_reduce(), and vs_relative_back_transfer_forces_and_torques().

◆ type() [1/2]

auto & Particle::type ( )

inline

Definition at line 474 of file Particle.hpp.

References ParticleProperties::type.

◆ type() [2/2]

auto const & Particle::type ( ) const

inline

Definition at line 473 of file Particle.hpp.

References ParticleProperties::type.

Referenced by Constraints::ShapeBasedConstraint::add_energy(), add_non_bonded_pair_energy(), add_non_bonded_pair_virials(), System::System::calculate_energy(), System::System::calculate_pressure(), commit_particle(), PairCriteria::EnergyCriterion::decide(), dpd_viscous_stress_local(), Constraints::ShapeBasedConstraint::force(), get_pairs_of_types(), CollisionDetection::GlueToSurface::glue_to_surface_criterion(), CollisionDetection::GlueToSurface::handle_collisions(), VerletCriterion< CutoffGetter >::operator()(), HybridDecomposition::particle_to_cell(), HybridDecomposition::particle_to_cell(), ScriptInterface::Particles::ParticleHandle::ParticleHandle(), serialize_and_reduce(), ScriptInterface::Particles::set_particles_types(), Constraints::ShapeBasedConstraint::set_type(), Constraints::ShapeBasedConstraint::type(), and Writer::H5md::File::write().

◆ v() [1/2]

auto & Particle::v ( )

inline

Definition at line 489 of file Particle.hpp.

References ParticleMomentum::v.

◆ v() [2/2]

auto const & Particle::v ( ) const

inline

Definition at line 488 of file Particle.hpp.

References ParticleMomentum::v.

Referenced by add_kinetic_virials(), add_non_bonded_pair_force_with_p(), apply_positional_correction(), apply_velocity_correction(), brownian_dynamics_propagator(), OifLocalForcesBond::calc_forces(), calculate_velocity_correction(), commit_particle(), dpd_viscous_stress_local(), Constraints::ShapeBasedConstraint::force(), ThermalizedBond::forces(), friction_thermo_langevin(), lb_drag_force(), LeesEdwards::Push::operator()(), FieldCoupling::Coupling::Viscous::operator()(), ScriptInterface::Particles::ParticleHandle::ParticleHandle(), serialize_and_reduce(), symplectic_euler_propagator_1(), translational_kinetic_energy(), Constraints::ShapeBasedConstraint::velocity(), ParticleObservables::traits< Particle >::velocity(), velocity(), ParticleObservables::traits< Particle >::velocity_body(), velocity_verlet_propagator_1(), velocity_verlet_propagator_2(), vs_relative_update_particles(), and Writer::H5md::File::write().

◆ vs_com() [1/2]

auto & Particle::vs_com ( )

inline

Definition at line 619 of file Particle.hpp.

References ParticleProperties::vs_com.

◆ vs_com() [2/2]

auto const & Particle::vs_com ( ) const

inline

Definition at line 618 of file Particle.hpp.

References ParticleProperties::vs_com.

Referenced by ScriptInterface::Particles::ParticleHandle::ParticleHandle(), vs_com_back_transfer_forces_and_torques(), and vs_com_update_particles().

◆ vs_relative() [1/2]

auto & Particle::vs_relative ( )

inline

Definition at line 615 of file Particle.hpp.

References ParticleProperties::vs_relative.

◆ vs_relative() [2/2]

auto const & Particle::vs_relative ( ) const

inline

Definition at line 614 of file Particle.hpp.

References ParticleProperties::vs_relative.

Referenced by connection_vector(), get_reference_particle(), ScriptInterface::Particles::ParticleHandle::ParticleHandle(), serialize_and_reduce(), vs_relate_to(), and vs_relative_update_particles().

The documentation for this struct was generated from the following file:

Particle.hpp

Public Member Functions

Detailed Description

Member Function Documentation

◆ bonds() [1/2]

◆ bonds() [2/2]

◆ calc_dip()

◆ calc_director()

◆ can_rotate()

◆ can_rotate_around()

◆ dip_fld() [1/2]

◆ dip_fld() [2/2]

◆ dipm() [1/2]

◆ dipm() [2/2]

◆ exclusions() [1/2]

◆ exclusions() [2/2]

◆ ext_force() [1/2]

◆ ext_force() [2/2]

◆ ext_torque() [1/2]

◆ ext_torque() [2/2]

◆ fixed() [1/2]

◆ fixed() [2/2]

◆ force() [1/2]

◆ force() [2/2]

◆ force_and_torque() [1/2]

◆ force_and_torque() [2/2]

◆ gamma() [1/2]

◆ gamma() [2/2]

◆ gamma_rot() [1/2]

◆ gamma_rot() [2/2]

◆ has_exclusion()

◆ has_fixed_coordinates()

◆ id() [1/2]

◆ id() [2/2]

◆ image_box() [1/2]

◆ image_box() [2/2]

◆ is_fixed_along()

◆ is_ghost()

◆ is_virtual()

◆ lees_edwards_flag() [1/2]

◆ lees_edwards_flag() [2/2]

◆ lees_edwards_offset() [1/2]

◆ lees_edwards_offset() [2/2]

◆ magnetic_anisotropy_energy() [1/2]

◆ magnetic_anisotropy_energy() [2/2]

◆ magnetic_anisotropy_field_inv() [1/2]

◆ magnetic_anisotropy_field_inv() [2/2]

◆ mass() [1/2]

◆ mass() [2/2]

◆ mol_id() [1/2]

◆ mol_id() [2/2]

◆ mu_E() [1/2]

◆ mu_E() [2/2]

◆ omega() [1/2]

◆ omega() [2/2]

◆ operator!=()

◆ operator==()

◆ pos() [1/2]

◆ pos() [2/2]

◆ pos_at_last_verlet_update() [1/2]

◆ pos_at_last_verlet_update() [2/2]

◆ pos_last_time_step() [1/2]

◆ pos_last_time_step() [2/2]

◆ propagation() [1/2]

◆ propagation() [2/2]

◆ q() [1/2]

◆ q() [2/2]

◆ quat() [1/2]

◆ quat() [2/2]

◆ rattle_correction() [1/2]

◆ rattle_correction() [2/2]

◆ rattle_params() [1/2]

◆ rattle_params() [2/2]

◆ rinertia() [1/2]

◆ rinertia() [2/2]

◆ rotation() [1/2]

◆ rotation() [2/2]

◆ saturation_magnetization() [1/2]

◆ saturation_magnetization() [2/2]

◆ set_can_rotate_all_axes()

◆ set_can_rotate_around()