oif_global_forces.cpp File Reference

#include "oif_global_forces.hpp"
#include "BoxGeometry.hpp"
#include "Particle.hpp"
#include "bonded_interactions/bonded_interaction_data.hpp"
#include "cell_system/CellStructure.hpp"
#include "communication.hpp"
#include "oif_global_forces_params.hpp"
#include "system/System.hpp"
#include <utils/Vector.hpp>
#include <utils/math/triangle_functions.hpp>
#include <boost/mpi/collectives/all_reduce.hpp>
#include <boost/serialization/utility.hpp>
#include <cassert>
#include <cmath>
#include <functional>
#include <span>

Include dependency graph for oif_global_forces.cpp:

Go to the source code of this file.

Functions
static auto	calc_oif_mesh (int molType, BoxGeometry const &box_geo, CellStructure &cs, BondedInteractionsMap const &bonded_ias)
	Calculate the mesh volume and area.
static void	add_oif_global_forces (double area, double volume, int molType, BoxGeometry const &box_geo, CellStructure &cs, BondedInteractionsMap const &bonded_ias)
	Distribute the OIF global forces to all particles in the mesh.

Function Documentation

add_oif_global_forces()

static void add_oif_global_forces ( double  area, double  volume, int  molType, BoxGeometry const &  box_geo, CellStructure &  cs, BondedInteractionsMap const &  bonded_ias  )

static

Distribute the OIF global forces to all particles in the mesh.

Definition at line 75 of file oif_global_forces.cpp.

References Utils::area_triangle(), BondedInteractionsMap::at(), CellStructure::bond_loop(), Particle::force(), BoxGeometry::get_mi_vector(), Utils::get_n_triangle(), Particle::image_box(), Particle::mol_id(), Utils::Vector< T, N >::normalize(), Particle::pos(), and BoxGeometry::unfolded_position().

calc_oif_mesh()

static auto calc_oif_mesh ( int  molType, BoxGeometry const &  box_geo, CellStructure &  cs, BondedInteractionsMap const &  bonded_ias  )

static

Calculate the mesh volume and area.

Definition at line 42 of file oif_global_forces.cpp.

References Utils::area_triangle(), BondedInteractionsMap::at(), CellStructure::bond_loop(), BoxGeometry::get_mi_vector(), Utils::get_n_triangle(), Particle::image_box(), Particle::mol_id(), Particle::pos(), and BoxGeometry::unfolded_position().