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dumper_ekin.cc
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/**
* @file dumper_ekin.cc
*
* @author Guillaume Anciaux <guillaume.anciaux@epfl.ch>
*
* @date Wed Jul 09 21:59:47 2014
*
* @brief This dmuper generates a text file with the kinetic energy
*
* @section LICENSE
*
* Copyright INRIA and CEA
*
* The LibMultiScale is a C++ parallel framework for the multiscale
* coupling methods dedicated to material simulations. This framework
* provides an API which makes it possible to program coupled simulations
* and integration of already existing codes.
*
* This Project was initiated in a collaboration between INRIA Futurs Bordeaux
* within ScAlApplix team and CEA/DPTA Ile de France.
* The project is now continued at the Ecole Polytechnique Fédérale de Lausanne
* within the LSMS/ENAC laboratory.
*
* This software is governed by the CeCILL-C license under French law and
* abiding by the rules of distribution of free software. You can use,
* modify and/ or redistribute the software under the terms of the CeCILL-C
* license as circulated by CEA, CNRS and INRIA at the following URL
* "http://www.cecill.info".
*
* As a counterpart to the access to the source code and rights to copy,
* modify and redistribute granted by the license, users are provided only
* with a limited warranty and the software's author, the holder of the
* economic rights, and the successive licensors have only limited
* liability.
*
* In this respect, the user's attention is drawn to the risks associated
* with loading, using, modifying and/or developing or reproducing the
* software by the user in light of its specific status of free software,
* that may mean that it is complicated to manipulate, and that also
* therefore means that it is reserved for developers and experienced
* professionals having in-depth computer knowledge. Users are therefore
* encouraged to load and test the software's suitability as regards their
* requirements in conditions enabling the security of their systems and/or
* data to be ensured and, more generally, to use and operate it in the
* same conditions as regards security.
*
* The fact that you are presently reading this means that you have had
* knowledge of the CeCILL-C license and that you accept its terms.
*
*/
#include "dumper_ekin.hh"
#include "communicator.hh"
#include "compute_ekin.hh"
#include "lib_continuum.hh"
#include "lib_dd.hh"
#include "lib_md.hh"
#include "lm_common.hh"
#include "ref_point_data.hh"
#include <fstream>
/* -------------------------------------------------------------------------- */
__BEGIN_LIBMULTISCALE__
template <typename Cont> void DumperEKin::dump(Cont &cont) {
ComputeEKin compute("ComputeEkin:" + this->getID());
compute.build(cont);
CommGroup & group = cont.getCommGroup();
UInt myrank = group.getMyRank();
if (myrank == 0) {
this->file << current_step << " " << compute[2] << " " << compute[1] << std::endl;
}
}
/* -------------------------------------------------------------------------- */
void DumperEKin::init() {
std::string fname = this->getBaseName() + "_ekin.plot";
this->file.open(fname.c_str());
if (this->file.is_open() == false)
LM_FATAL("Cannot open file " << fname << " for dumper epot : exit");
}
/* -------------------------------------------------------------------------- */
/* LMDESC EKIN
This dumper outputs to a single file kinetic energy informations. \\ \ \
The file takes the column-like format: \\ \ \
TimeStep \hspace{1cm} EKin \hspace{1cm} Temperature
*/
/* LMEXAMPLE DUMPER ekinmd EKIN INPUT md FREQ 100 PREFIX ./ */
/* LMHERITANCE dumper */
void DumperEKin::declareParams() { DumperInterface::declareParams(); }
/* -------------------------------------------------------------------------- */
DumperEKin::DumperEKin(const std::string &name) : LMObject(name){};
/* -------------------------------------------------------------------------- */
DumperEKin::~DumperEKin(){};
/* -------------------------------------------------------------------------- */
DECLARE_DUMPER_MAKE_CALL(DumperEKin);
__END_LIBMULTISCALE__

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