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stimulation_linearmomentum.cc
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stimulation_linearmomentum.cc
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/**
* @file stimulation_linearmomentum.cc
*
* @author Guillaume Anciaux <guillaume.anciaux@epfl.ch>
*
* @date Wed Jul 09 21:59:47 2014
*
* @brief This stimulator zeros the linear momentum of a group of atoms
*
* @section LICENSE
*
* Copyright (©) 2010-2011 EPFL (Ecole Polytechnique Fédérale de Lausanne)
* Laboratory (LSMS - Laboratoire de Simulation en Mécanique des Solides)
*
* LibMultiScale is free software: you can redistribute it and/or modify it
* under the
* terms of the GNU Lesser General Public License as published by the Free
* Software Foundation, either version 3 of the License, or (at your option) any
* later version.
*
* LibMultiScale 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 Lesser General Public License for more
* details.
*
* You should have received a copy of the GNU Lesser General Public License
* along with LibMultiScale. If not, see <http://www.gnu.org/licenses/>.
*
*/
/* -------------------------------------------------------------------------- */
#include "stimulation_linearmomentum.hh"
#include "lib_continuum.hh"
#include "lib_dd.hh"
#include "lib_md.hh"
#include "lm_common.hh"
#include "ref_point_data.hh"
#include <mpi.h>
/* -------------------------------------------------------------------------- */
__BEGIN_LIBMULTISCALE__
StimulationLinearMomentum::StimulationLinearMomentum(const std::string &name)
: LMObject(name){};
/* -------------------------------------------------------------------------- */
StimulationLinearMomentum::~StimulationLinearMomentum(){};
/* -------------------------------------------------------------------------- */
template <typename Cont>
void StimulationLinearMomentum::stimulate(Cont &cont) {
constexpr UInt Dim = Cont::Dim;
UInt cpt = cont.size(), cpt_tot = 0;
Vector<Dim> local_mean_v =
Vector<Dim>::Zero(); //, local_mean_vy = 0.0, local_mean_vz = 0.0;
Vector<Dim> mean_v = Vector<Dim>::Zero(); //, mean_vy = 0.0, mean_vz = 0.0;
for (auto &&at : cont) {
local_mean_v += at.velocity();
}
MPI_Allreduce(&local_mean_v, &mean_v, 3, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
MPI_Allreduce(&cpt, &cpt_tot, 1, MPI_INT, MPI_SUM, MPI_COMM_WORLD);
mean_v /= cpt_tot;
for (auto &&at : cont) {
at.velocity() -= mean_v;
}
}
/* -------------------------------------------------------------------------- */
/* LMDESC LINEAR_MOMENTUM
This stimulator zeros the linear momentum of a group of atoms
*/
/* LMHERITATE action_interface */
/* LMEXAMPLE STIMULATION lm LINEAR_MOMENTUM INPUT md FREQ 1 */
void StimulationLinearMomentum::declareParams() {
StimulationInterface::declareParams();
}
/* -------------------------------------------------------------------------- */
DECLARE_STIMULATION_MAKE_CALL(StimulationLinearMomentum);
__END_LIBMULTISCALE__

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