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.
void	init_forces (const CellStructure &cell_structure)
	Assign external forces/torques to real particles and zero to ghosts.
void	init_forces_ghosts (const CellStructure &cell_structure)
	Set forces of all ghosts to zero.
static void	force_capping (CellStructure &cell_structure, 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

)

Calculate long range forces (P3M, ...).

Definition at line 252 of file forces.cpp.

References Coulomb::Solver::calc_long_range_force(), Dipoles::Solver::calc_long_range_force(), Coulomb::get_coulomb(), and Dipoles::get_dipoles().

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

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 ( CellStructure &  cell_structure, double  force_cap  )

static

Definition at line 106 of file forces.cpp.

References CellStructure::for_each_local_particle(), Particle::force(), and Utils::sqr().

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

init_forces()

void init_forces

(

const CellStructure &

cell_structure

)

Assign external forces/torques to real particles and zero to ghosts.

Definition at line 90 of file forces.cpp.

References external_force(), CellStructure::for_each_local_particle(), Particle::force_and_torque(), and init_forces_ghosts().

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

init_forces_ghosts()

void init_forces_ghosts

(

const CellStructure &

cell_structure

)

Set forces of all ghosts to zero.

Definition at line 101 of file forces.cpp.

References CellStructure::for_each_ghost_particle(), and Particle::force_and_torque().

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 269 of file forces.cpp.

References System::get_system(), and System::System::npt_add_virial_contribution().

Referenced by add_bonded_two_body_force(), and add_non_bonded_pair_force().