Homec4science
Diffusion lammps (lammm-master) Browse

lammps/src/imbalance_store.cpp
775e8f3cc8f5lammm-master

Last Change
Raw File

imbalance_store.cpp
View Options

/* ----------------------------------------------------------------------
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 "pointers.h"
#include "imbalance_store.h"
#include "atom.h"
#include "error.h"
#include "input.h"
using namespace LAMMPS_NS;
int ImbalanceStore::options(int narg, char **arg)
{
Error *error = _lmp->error;
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)
{
if (_name) {
int dflag = 0;
int idx = _lmp->atom->find_custom(_name,dflag);
// property does not exist
if (idx < 0 || dflag != 1) return;
double *prop = _lmp->atom->dvector[idx];
const int nlocal = _lmp->atom->nlocal;
for (int i = 0; i < nlocal; ++i)
prop[i] = weight[i];
}
}
/* -------------------------------------------------------------------- */
void ImbalanceStore::info(FILE *fp)
{
if (_name)
fprintf(fp," storing weight in atom property d_%s\n",_name);
}
c4science · Help