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lammps/src/imbalance_var.cpp
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imbalance_var.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 "pointers.h"
#include "imbalance_var.h"
#include "atom.h"
#include "error.h"
#include "group.h"
#include "input.h"
#include "variable.h"
using namespace LAMMPS_NS;
int ImbalanceVar::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);
this->init();
return 1;
}
/* -------------------------------------------------------------------- */
void ImbalanceVar::init()
{
Error *error = _lmp->error;
Variable *variable = _lmp->input->variable;
if (_name) {
_id = variable->find(_name);
if (_id < 0) {
error->all(FLERR,"Variable name for balance weight does not exist");
} else {
if (variable->atomstyle(_id) == 0)
error->all(FLERR,"Variable for balance weight has invalid style");
}
}
}
/* -------------------------------------------------------------------- */
void ImbalanceVar::compute(double *weight)
{
if (_id >= 0) {
const int all = _lmp->group->find("all");
if (all < 0) return;
const int nlocal = _lmp->atom->nlocal;
double *val = new double[nlocal];
_lmp->input->variable->compute_atom(_id,all,val,1,0);
for (int i = 0; i < nlocal; ++i) weight[i] *= val[i];
delete[] val;
}
}
/* -------------------------------------------------------------------- */
void ImbalanceVar::info(FILE *fp)
{
if (_id >= 0)
fprintf(fp," weight variable: %s\n",_name);
}
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