ESPResSo
Extensible Simulation Package for Research on Soft Matter Systems
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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>
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. | |
void calc_long_range_forces | ( | const ParticleRange & | particles | ) |
Calculate long range forces (P3M, ...).
Definition at line 251 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().
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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().
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Definition at line 109 of file forces.cpp.
References Utils::sqr().
Referenced by System::System::calculate_forces().
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Definition at line 90 of file forces.cpp.
References external_force(), and init_forces_ghosts().
Referenced by System::System::calculate_forces().
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().
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().