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lammps/src/imbalance_store.cpp
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imbalance_store.cpp
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/* ----------------------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
http://lammps.sandia.gov, Sandia National Laboratories
Steve Plimpton, sjplimp@sandia.gov
Copyright (2003) Sandia Corporation. Under the terms of Contract
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
certain rights in this software. This software is distributed under
the GNU General Public License.
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#include <string.h>
#include "imbalance_store.h"
#include "atom.h"
#include "input.h"
#include "error.h"
using namespace LAMMPS_NS;
/* -------------------------------------------------------------------- */
ImbalanceStore::ImbalanceStore(LAMMPS *lmp) : Imbalance(lmp), name(0) {}
/* -------------------------------------------------------------------- */
ImbalanceStore::~ImbalanceStore()
{
delete [] name;
}
/* -------------------------------------------------------------------- */
int ImbalanceStore::options(int narg, char **arg)
{
if (narg < 1) error->all(FLERR,"Illegal balance weight command");
int len = strlen(arg[0]) + 1;
name = new char[len];
memcpy(name,arg[0],len);
return 1;
}
/* -------------------------------------------------------------------- */
void ImbalanceStore::compute(double *weight)
{
int dflag = 0;
int idx = atom->find_custom(name,dflag);
// property does not exist
if (idx < 0 || dflag != 1) return;
double *prop = atom->dvector[idx];
const int nlocal = atom->nlocal;
for (int i = 0; i < nlocal; ++i)
prop[i] = weight[i];
}
/* -------------------------------------------------------------------- */
void ImbalanceStore::info(FILE *fp)
{
fprintf(fp," storing weight in atom property d_%s\n",name);
}
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