ESPResSo
Extensible Simulation Package for Research on Soft Matter Systems
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dipolar_direct_sum.hpp
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1/*
2 * Copyright (C) 2010-2022 The ESPResSo project
3 * Copyright (C) 2002,2003,2004,2005,2006,2007,2008,2009,2010
4 * Max-Planck-Institute for Polymer Research, Theory Group
5 *
6 * This file is part of ESPResSo.
7 *
8 * ESPResSo is free software: you can redistribute it and/or modify
9 * it under the terms of the GNU General Public License as published by
10 * the Free Software Foundation, either version 3 of the License, or
11 * (at your option) any later version.
12 *
13 * ESPResSo is distributed in the hope that it will be useful,
14 * but WITHOUT ANY WARRANTY; without even the implied warranty of
15 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
16 * GNU General Public License for more details.
17 *
18 * You should have received a copy of the GNU General Public License
19 * along with this program. If not, see <http://www.gnu.org/licenses/>.
20 */
21
22#pragma once
23
24#include "config/config.hpp"
25
26#ifdef DIPOLES
27
29
30#include "ParticleRange.hpp"
31
32/**
33 * @brief Dipolar all with all and no replica.
34 * Handling of a system of dipoles where no replicas exist.
35 * Assumes minimum image convention for those axis in which the
36 * system is periodic.
37 */
38struct DipolarDirectSum : public Dipoles::Actor<DipolarDirectSum> {
41
42 void on_activation() const {}
43 void on_boxl_change() const {}
44 void on_node_grid_change() const {}
45 void on_periodicity_change() const {}
47 void init() const {}
48 void sanity_checks() const {}
49
50 double long_range_energy(ParticleRange const &particles) const;
51 void add_long_range_forces(ParticleRange const &particles) const;
52#ifdef DIPOLE_FIELD_TRACKING
53 void dipole_field_at_part(ParticleRange const &particles) const;
54#endif
55};
56
57#endif // DIPOLES
double prefactor
Magnetostatics prefactor.
A range of particles.
This file contains the defaults for ESPResSo.
Dipolar all with all and no replica.
void dipole_field_at_part(ParticleRange const &particles) const
Calculate total dipole field of each particle.
void on_cell_structure_change() const
void on_boxl_change() const
void on_node_grid_change() const
void on_periodicity_change() const
void add_long_range_forces(ParticleRange const &particles) const
Calculate and add the interaction forces/torques to the particles.
double long_range_energy(ParticleRange const &particles) const
Calculate the interaction potential.