ESPResSo
Extensible Simulation Package for Research on Soft Matter Systems
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forces.cpp File Reference

Force calculation. More...

#include "BoxGeometry.hpp"
#include "Particle.hpp"
#include "ParticleRange.hpp"
#include "PropagationMode.hpp"
#include "bond_breakage/bond_breakage.hpp"
#include "cell_system/CellStructure.hpp"
#include "cells.hpp"
#include "collision_detection/CollisionDetection.hpp"
#include "communication.hpp"
#include "constraints/Constraints.hpp"
#include "electrostatics/icc.hpp"
#include "forces_inline.hpp"
#include "galilei/ComFixed.hpp"
#include "immersed_boundary/ImmersedBoundaries.hpp"
#include "integrators/Propagation.hpp"
#include "lb/particle_coupling.hpp"
#include "magnetostatics/dipoles.hpp"
#include "nonbonded_interactions/VerletCriterion.hpp"
#include "nonbonded_interactions/nonbonded_interaction_data.hpp"
#include "npt.hpp"
#include "rotation.hpp"
#include "short_range_loop.hpp"
#include "system/System.hpp"
#include "thermostat.hpp"
#include "virtual_sites/relative.hpp"
#include <utils/Vector.hpp>
#include <utils/math/sqr.hpp>
#include <boost/variant.hpp>
#include <caliper/cali.h>
#include <cassert>
#include <cmath>
#include <memory>
#include <span>
#include <variant>
+ Include dependency graph for forces.cpp:

Go to the source code of this file.

Functions

static ParticleForce external_force (Particle const &p)
 External particle forces.
 
static void init_forces (ParticleRange const &particles, ParticleRange const &ghost_particles)
 
void init_forces_ghosts (ParticleRange const &particles)
 Set forces of all ghosts to zero.
 
static void force_capping (ParticleRange const &particles, double force_cap)
 
void calc_long_range_forces (const ParticleRange &particles)
 Calculate long range forces (P3M, ...).
 
void npt_add_virial_force_contribution (const Utils::Vector3d &force, const Utils::Vector3d &d)
 Update the NpT virial.
 

Detailed Description

Force calculation.

The corresponding header file is forces.hpp.

Definition in file forces.cpp.

Function Documentation

◆ calc_long_range_forces()

void calc_long_range_forces ( const ParticleRange particles)

◆ external_force()

static ParticleForce external_force ( Particle const &  p)
static

External particle forces.

Definition at line 69 of file forces.cpp.

References Particle::calc_director(), Particle::ext_force(), Particle::ext_torque(), ParticleForce::f, Particle::swimming(), and ParticleForce::torque.

Referenced by init_forces().

◆ force_capping()

static void force_capping ( ParticleRange const &  particles,
double  force_cap 
)
static

Definition at line 109 of file forces.cpp.

References Utils::sqr().

Referenced by System::System::calculate_forces().

◆ init_forces()

static void init_forces ( ParticleRange const &  particles,
ParticleRange const &  ghost_particles 
)
static

Definition at line 90 of file forces.cpp.

References external_force(), and init_forces_ghosts().

Referenced by System::System::calculate_forces().

◆ init_forces_ghosts()

void init_forces_ghosts ( ParticleRange const &  particles)

Set forces of all ghosts to zero.

Definition at line 103 of file forces.cpp.

Referenced by init_forces(), lb_tracers_add_particle_force_to_fluid(), and vs_relative_back_transfer_forces_and_torques().

◆ npt_add_virial_force_contribution()

void npt_add_virial_force_contribution ( const Utils::Vector3d force,
const Utils::Vector3d d 
)

Update the NpT virial.

Definition at line 268 of file forces.cpp.

References npt_add_virial_contribution().

Referenced by add_bonded_two_body_force(), and add_non_bonded_pair_force().