ESPResSo
Extensible Simulation Package for Research on Soft Matter Systems
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Particle Struct Reference

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 & 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 & 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 395 of file Particle.hpp.

Member Function Documentation

◆ bonds() [1/2]

auto & Particle::bonds ( )
inline

Definition at line 429 of file Particle.hpp.

◆ bonds() [2/2]

◆ calc_dip()

◆ calc_director()

auto Particle::calc_director ( ) const
inline

◆ can_rotate()

◆ can_rotate_around()

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

◆ dip_fld() [1/2]

auto & Particle::dip_fld ( )
inline

Definition at line 499 of file Particle.hpp.

References ParticleProperties::dip_fld.

◆ dip_fld() [2/2]

auto const & Particle::dip_fld ( ) const
inline

◆ dipm() [1/2]

auto & Particle::dipm ( )
inline

Definition at line 494 of file Particle.hpp.

References ParticleProperties::dipm.

◆ dipm() [2/2]

◆ exclusions() [1/2]

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

◆ exclusions() [2/2]

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

Definition at line 575 of file Particle.hpp.

◆ ext_force() [1/2]

auto & Particle::ext_force ( )
inline

Definition at line 555 of file Particle.hpp.

References ParticleProperties::ext_force.

◆ ext_force() [2/2]

auto const & Particle::ext_force ( ) const
inline

◆ ext_torque() [1/2]

auto & Particle::ext_torque ( )
inline

Definition at line 485 of file Particle.hpp.

References ParticleProperties::ext_torque.

◆ ext_torque() [2/2]

auto const & Particle::ext_torque ( ) const
inline

◆ fixed() [1/2]

auto & Particle::fixed ( )
inline

Definition at line 540 of file Particle.hpp.

References ParticleProperties::ext_flag.

◆ fixed() [2/2]

auto const & Particle::fixed ( ) const
inline

◆ force() [1/2]

auto & Particle::force ( )
inline

Definition at line 436 of file Particle.hpp.

References ParticleForce::f.

◆ force() [2/2]

◆ force_and_torque() [1/2]

auto & Particle::force_and_torque ( )
inline

Definition at line 438 of file Particle.hpp.

◆ force_and_torque() [2/2]

auto const & Particle::force_and_torque ( ) const
inline

Definition at line 437 of file Particle.hpp.

Referenced by add_non_bonded_pair_force().

◆ gamma() [1/2]

auto & Particle::gamma ( )
inline

Definition at line 532 of file Particle.hpp.

References ParticleProperties::gamma.

◆ gamma() [2/2]

◆ gamma_rot() [1/2]

auto & Particle::gamma_rot ( )
inline

Definition at line 535 of file Particle.hpp.

References ParticleProperties::gamma_rot.

◆ gamma_rot() [2/2]

◆ has_exclusion()

bool Particle::has_exclusion ( int  pid) const
inline

◆ has_fixed_coordinates()

bool Particle::has_fixed_coordinates ( ) const
inline

Definition at line 541 of file Particle.hpp.

References ParticleProperties::ext_flag.

◆ id() [1/2]

auto & Particle::id ( )
inline

Definition at line 415 of file Particle.hpp.

References ParticleProperties::identity.

◆ id() [2/2]

◆ image_box() [1/2]

auto & Particle::image_box ( )
inline

Definition at line 445 of file Particle.hpp.

References ParticlePosition::i.

◆ image_box() [2/2]

◆ is_fixed_along()

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

◆ is_ghost()

◆ is_virtual()

◆ lees_edwards_flag() [1/2]

auto & Particle::lees_edwards_flag ( )
inline

Definition at line 449 of file Particle.hpp.

References ParticleLocal::lees_edwards_flag.

◆ lees_edwards_flag() [2/2]

auto const & Particle::lees_edwards_flag ( ) const
inline

◆ lees_edwards_offset() [1/2]

auto & Particle::lees_edwards_offset ( )
inline

Definition at line 447 of file Particle.hpp.

References ParticleLocal::lees_edwards_offset.

◆ lees_edwards_offset() [2/2]

auto const & Particle::lees_edwards_offset ( ) const
inline

◆ mass() [1/2]

auto & Particle::mass ( )
inline

Definition at line 453 of file Particle.hpp.

References ParticleProperties::mass.

◆ mass() [2/2]

◆ mol_id() [1/2]

auto & Particle::mol_id ( )
inline

Definition at line 417 of file Particle.hpp.

References ParticleProperties::mol_id.

◆ mol_id() [2/2]

◆ mu_E() [1/2]

auto & Particle::mu_E ( )
inline

Definition at line 515 of file Particle.hpp.

References ParticleProperties::mu_E.

◆ mu_E() [2/2]

auto const & Particle::mu_E ( ) const
inline

◆ omega() [1/2]

auto & Particle::omega ( )
inline

Definition at line 482 of file Particle.hpp.

References ParticleMomentum::omega.

◆ omega() [2/2]

◆ operator!=()

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

Definition at line 426 of file Particle.hpp.

References id().

◆ operator==()

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

Definition at line 424 of file Particle.hpp.

References id().

◆ pos() [1/2]

auto & Particle::pos ( )
inline

Definition at line 432 of file Particle.hpp.

References ParticlePosition::p.

◆ pos() [2/2]

auto const & Particle::pos ( ) const
inline

Definition at line 431 of file Particle.hpp.

References ParticlePosition::p.

Referenced by add_bonded_force(), add_bonded_two_body_force(), add_oif_global_forces(), ElectrostaticLayerCorrection::add_pair_force_corrections(), apply_positional_correction(), 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(), 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(), PairCriteria::DistanceCriterion::decide(), PairCriteria::EnergyCriterion::decide(), dipolar_energy_correction(), dipolar_force_corrections(), dpd_pair_force(), dpd_viscous_stress_local(), fold_and_reset(), get_ibm_particle_position(), CollisionDetection::BindAtPointOfCollision::handle_collisions(), CollisionDetection::GlueToSurface::handle_collisions(), GatherPos::kernel(), GatherCom::kernel(), ClusterAnalysis::Cluster::longest_distance(), LeesEdwards::Push::operator()(), ElectrostaticLayerCorrection::pair_energy_correction(), 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(), and velocity_verlet_propagator_1().

◆ pos_at_last_verlet_update() [1/2]

auto & Particle::pos_at_last_verlet_update ( )
inline

Definition at line 442 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 443 of file Particle.hpp.

References ParticleLocal::p_old.

◆ pos_last_time_step() [1/2]

auto & Particle::pos_last_time_step ( )
inline

Definition at line 566 of file Particle.hpp.

References ParticlePosition::p_last_timestep.

◆ pos_last_time_step() [2/2]

auto const & Particle::pos_last_time_step ( ) const
inline

◆ propagation() [1/2]

auto & Particle::propagation ( )
inline

Definition at line 422 of file Particle.hpp.

References ParticleProperties::propagation.

◆ propagation() [2/2]

◆ q() [1/2]

auto & Particle::q ( )
inline

Definition at line 509 of file Particle.hpp.

References ParticleProperties::q.

◆ q() [2/2]

◆ quat() [1/2]

auto & Particle::quat ( )
inline

Definition at line 478 of file Particle.hpp.

References ParticlePosition::quat.

◆ quat() [2/2]

◆ rattle_correction() [1/2]

auto & Particle::rattle_correction ( )
inline

Definition at line 570 of file Particle.hpp.

References ParticleRattle::correction.

◆ rattle_correction() [2/2]

auto const & Particle::rattle_correction ( ) const
inline

Definition at line 569 of file Particle.hpp.

References ParticleRattle::correction.

Referenced by serialize_and_reduce().

◆ rattle_params() [1/2]

auto & Particle::rattle_params ( )
inline

Definition at line 568 of file Particle.hpp.

◆ rattle_params() [2/2]

auto const & Particle::rattle_params ( ) const
inline

◆ rinertia() [1/2]

auto & Particle::rinertia ( )
inline

Definition at line 503 of file Particle.hpp.

References ParticleProperties::rinertia.

◆ rinertia() [2/2]

◆ rotation() [1/2]

auto & Particle::rotation ( )
inline

Definition at line 459 of file Particle.hpp.

References ParticleProperties::rotation.

◆ rotation() [2/2]

◆ set_can_rotate_all_axes()

void Particle::set_can_rotate_all_axes ( )
inline

◆ set_can_rotate_around()

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

Definition at line 465 of file Particle.hpp.

References ParticleProperties::rotation.

◆ set_cannot_rotate_all_axes()

void Particle::set_cannot_rotate_all_axes ( )
inline

Definition at line 474 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 546 of file Particle.hpp.

References ParticleProperties::ext_flag.

◆ set_ghost()

void Particle::set_ghost ( bool const  ghost_flag)
inline

Definition at line 441 of file Particle.hpp.

References ParticleLocal::ghost.

◆ swimming() [1/2]

auto & Particle::swimming ( )
inline

Definition at line 562 of file Particle.hpp.

References ParticleProperties::swim.

◆ swimming() [2/2]

auto const & Particle::swimming ( ) const
inline

◆ torque() [1/2]

auto & Particle::torque ( )
inline

Definition at line 480 of file Particle.hpp.

References ParticleForce::torque.

◆ torque() [2/2]

◆ type() [1/2]

auto & Particle::type ( )
inline

Definition at line 419 of file Particle.hpp.

References ParticleProperties::type.

◆ type() [2/2]

◆ v() [1/2]

auto & Particle::v ( )
inline

Definition at line 434 of file Particle.hpp.

References ParticleMomentum::v.

◆ v() [2/2]

◆ vs_relative() [1/2]

auto & Particle::vs_relative ( )
inline

Definition at line 528 of file Particle.hpp.

References ParticleProperties::vs_relative.

◆ vs_relative() [2/2]

auto const & Particle::vs_relative ( ) const
inline

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