oif_global_forces.hpp

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/*
 * Copyright (C) 2012-2022 The ESPResSo project
 *
 * This file is part of ESPResSo.
 *
 * ESPResSo is free software: you can redistribute it and/or modify
 * it under the terms of the GNU General Public License as published by
 * the Free Software Foundation, either version 3 of the License, or
 * (at your option) any later version.
 *
 * ESPResSo is distributed in the hope that it will be useful,
 * but WITHOUT ANY WARRANTY; without even the implied warranty of
 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
 * GNU General Public License for more details.
 *
 * You should have received a copy of the GNU General Public License
 * along with this program.  If not, see <http://www.gnu.org/licenses/>.
 */
#ifndef CORE_OBJECT_IN_FLUID_OIF_GLOBAL_FORCES_HPP
#define CORE_OBJECT_IN_FLUID_OIF_GLOBAL_FORCES_HPP
/** \file
 *  Routines to calculate the OIF global forces energy or/and and force
 *  for a particle triple (triangle from mesh). See @cite dupin07a.
 */
 
#include "BoxGeometry.hpp"
#include "cell_system/CellStructure.hpp"
#include "oif_global_forces_params.hpp"
 
#include <utils/Vector.hpp>
 
/** Calculate the OIF global force.
 *  Called in force_calc() from within forces.cpp
 *  - calculates the global area and global volume for a cell before the forces
 *    are handled
 *  - MPI synchronization with all reduce
 *  - !!! loop over particles from regular_decomposition !!!
 */
Utils::Vector2d calc_oif_global(int molType, BoxGeometry const &box_geo,
                                CellStructure &cs);
 
/** Distribute the OIF global forces to all particles in the mesh. */
void add_oif_global_forces(Utils::Vector2d const &area_volume, int molType,
                           BoxGeometry const &box_geo, CellStructure &cs);
 
extern int max_oif_objects;
 
#endif