ESPResSo
Extensible Simulation Package for Research on Soft Matter Systems
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HomogeneousMagneticField.cpp
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/*
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* Copyright (C) 2010-2022 The ESPResSo project
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*
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* This file is part of ESPResSo.
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*
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* ESPResSo is free software: you can redistribute it and/or modify
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* it under the terms of the GNU General Public License as published by
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* the Free Software Foundation, either version 3 of the License, or
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* (at your option) any later version.
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*
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* ESPResSo is distributed in the hope that it will be useful,
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* but WITHOUT ANY WARRANTY; without even the implied warranty of
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* MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
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* GNU General Public License for more details.
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*
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* You should have received a copy of the GNU General Public License
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* along with this program. If not, see <http://www.gnu.org/licenses/>.
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*/
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#include "
HomogeneousMagneticField.hpp
"
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#include "
Observable_stat.hpp
"
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#include "
Particle.hpp
"
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#include "
config/config.hpp
"
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#include <
utils/Vector.hpp
>
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namespace
Constraints
{
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ParticleForce
HomogeneousMagneticField::force
(
const
Particle
&p,
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const
Utils::Vector3d
&,
double
) {
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#ifdef DIPOLES
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return
{{},
vector_product
(p.
calc_dip
(), m_field)};
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#else
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return
{};
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#endif
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}
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void
HomogeneousMagneticField::add_energy
(
const
Particle
&p,
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const
Utils::Vector3d
&,
double
,
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Observable_stat
&obs_energy)
const
{
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#ifdef DIPOLES
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obs_energy.
dipolar
[0] += -1.0 * m_field * p.
calc_dip
();
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#endif
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}
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}
// namespace Constraints
Observable_stat.hpp
Particle.hpp
Vector.hpp
Vector implementation and trait types for boost qvm interoperability.
Constraints::HomogeneousMagneticField::add_energy
void add_energy(const Particle &p, const Utils::Vector3d &, double, Observable_stat &energy) const override
Definition
HomogeneousMagneticField.cpp:38
Constraints::HomogeneousMagneticField::force
ParticleForce force(const Particle &p, const Utils::Vector3d &, double) override
Definition
HomogeneousMagneticField.cpp:29
Observable_stat
Observable for the pressure and energy.
Definition
Observable_stat.hpp:31
Observable_stat::dipolar
std::span< double > dipolar
Contribution(s) from dipolar interactions.
Definition
Observable_stat.hpp:80
Utils::Vector
Definition
Vector.hpp:48
config.hpp
This file contains the defaults for ESPResSo.
vector_product
__device__ void vector_product(float const *a, float const *b, float *out)
Definition
dipolar_direct_sum_gpu_cuda.cu:42
Constraints
Definition
core/constraints/Constraint.hpp:29
HomogeneousMagneticField.hpp
ParticleForce
Force information on a particle.
Definition
Particle.hpp:290
Particle
Struct holding all information for one particle.
Definition
Particle.hpp:395
Particle::calc_dip
auto calc_dip() const
Definition
Particle.hpp:495
src
core
constraints
HomogeneousMagneticField.cpp
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