forces.cpp File Reference

#include <config/config.hpp>
#include "BoxGeometry.hpp"
#include "Particle.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_cabana.hpp"
#include "short_range_loop.hpp"
#include "system/System.hpp"
#include "thermostat.hpp"
#include "thermostats/langevin_inline.hpp"
#include "virtual_sites/com.hpp"
#include "virtual_sites/relative.hpp"
#include <utils/Vector.hpp>
#include <utils/math/sqr.hpp>
#include <caliper/cali.h>
#include <Cabana_Core.hpp>
#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_and_thermostat (System::System const &system)
	Combined force initialization and Langevin noise application.
static void	force_capping (CellStructure &cell_structure, double force_cap)
static void	reinit_dip_fld (CellStructure const &cell_structure)
static ForcesKernel	create_cabana_neighbor_kernel (System::System const &system, Utils::Vector3d *virial, auto const &elc_kernel, auto const &coulomb_kernel, auto const &dipoles_kernel, auto const &coulomb_u_kernel)
static void	reduce_cabana_forces_and_torques (System::System const &system, Utils::Vector3d *virial)

Function Documentation

create_cabana_neighbor_kernel()

static ForcesKernel create_cabana_neighbor_kernel ( System::System const &  system, Utils::Vector3d *  virial, auto const &  elc_kernel, auto const &  coulomb_kernel, auto const &  dipoles_kernel, auto const &  coulomb_u_kernel  )

static

Definition at line 155 of file forces.cpp.

References System::System::bonded_ias, System::System::box_geo, System::System::cell_structure, System::System::coulomb, get_ptr(), System::System::maximal_cutoff(), System::System::nonbonded_ias, and System::System::thermostat.

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

external_force()

static ParticleForce external_force ( Particle const &  p )

static

External particle forces.

Definition at line 70 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_and_thermostat().

force_capping()

static void force_capping ( CellStructure &  cell_structure, double  force_cap  )

static

Definition at line 134 of file forces.cpp.

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

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

init_forces_and_thermostat()

static void init_forces_and_thermostat ( System::System const &  system )

static

Combined force initialization and Langevin noise application.

Definition at line 92 of file forces.cpp.

References System::System::cell_structure, convert_vector_body_to_space(), external_force(), Particle::force(), Particle::force_and_torque(), friction_thermo_langevin(), friction_thermo_langevin_rotation(), System::System::get_time_step(), System::System::propagation, PropagationMode::ROT_LANGEVIN, System::System::thermostat, Particle::torque(), and PropagationMode::TRANS_LANGEVIN.

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

reduce_cabana_forces_and_torques()

static void reduce_cabana_forces_and_torques ( System::System const &  system, Utils::Vector3d *  virial  )

static

Definition at line 192 of file forces.cpp.

References System::System::cell_structure.

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

reinit_dip_fld()

static void reinit_dip_fld ( CellStructure const &  cell_structure )

static

Definition at line 148 of file forces.cpp.

References Particle::dip_fld(), and CellStructure::for_each_local_particle().

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