ESPResSo
Extensible Simulation Package for Research on Soft Matter Systems
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HomogeneousMagneticField.cpp
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1/*
2 * Copyright (C) 2010-2022 The ESPResSo project
3 *
4 * This file is part of ESPResSo.
5 *
6 * ESPResSo is free software: you can redistribute it and/or modify
7 * it under the terms of the GNU General Public License as published by
8 * the Free Software Foundation, either version 3 of the License, or
9 * (at your option) any later version.
10 *
11 * ESPResSo is distributed in the hope that it will be useful,
12 * but WITHOUT ANY WARRANTY; without even the implied warranty of
13 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
14 * GNU General Public License for more details.
15 *
16 * You should have received a copy of the GNU General Public License
17 * along with this program. If not, see <http://www.gnu.org/licenses/>.
18 */
20
21#include "Observable_stat.hpp"
22#include "Particle.hpp"
23#include "config/config.hpp"
24
25#include <utils/Vector.hpp>
26
27namespace Constraints {
28
30 const Utils::Vector3d &, double) {
31#ifdef DIPOLES
32 return {{}, vector_product(p.calc_dip(), m_field)};
33#else
34 return {};
35#endif
36}
37
39 const Utils::Vector3d &, double,
40 Observable_stat &obs_energy) const {
41#ifdef DIPOLES
42 obs_energy.dipolar[0] += -1.0 * m_field * p.calc_dip();
43#endif
44}
45
46} // namespace Constraints
Vector implementation and trait types for boost qvm interoperability.
void add_energy(const Particle &p, const Utils::Vector3d &, double, Observable_stat &energy) const override
ParticleForce force(const Particle &p, const Utils::Vector3d &, double) override
Observable for the pressure and energy.
std::span< double > dipolar
Contribution(s) from dipolar interactions.
This file contains the defaults for ESPResSo.
__device__ void vector_product(float const *a, float const *b, float *out)
Force information on a particle.
Definition Particle.hpp:290
Struct holding all information for one particle.
Definition Particle.hpp:395
auto calc_dip() const
Definition Particle.hpp:495