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lammps/src/imbalance_group.cpp
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imbalance_group.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 "pointers.h"
#include "imbalance_group.h"
#include "atom.h"
#include "error.h"
#include "force.h"
#include "group.h"
using namespace LAMMPS_NS;
int ImbalanceGroup::options(int narg, char **arg)
{
Error *error = _lmp->error;
Force *force = _lmp->force;
Group *group = _lmp->group;
if (narg < 3) error->all(FLERR,"Illegal balance weight command");
_num = force->inumeric(FLERR,arg[0]);
if (_num < 1) error->all(FLERR,"Illegal balance weight command");
if (2*_num+1 > narg) error->all(FLERR,"Illegal balance weight command");
_id = new int[_num];
_factor = new double[_num];
for (int i = 0; i < _num; ++i) {
_id[i] = group->find(arg[2*i+1]);
if (_id[i] < 0)
error->all(FLERR,"Unknown group in balance weight command");
_factor[i] = force->numeric(FLERR,arg[2*i+2]);
}
return 2*_num+1;
}
/* -------------------------------------------------------------------- */
void ImbalanceGroup::compute(double *weight)
{
const int * const mask = _lmp->atom->mask;
const int * const bitmask = _lmp->group->bitmask;
const int nlocal = _lmp->atom->nlocal;
if (_num == 0) return;
for (int i = 0; i < nlocal; ++i) {
const int imask = mask[i];
double iweight = weight[i];
for (int j = 0; j < _num; ++j) {
if (imask & bitmask[_id[j]])
iweight *= _factor[j];
}
weight[i] = iweight;
}
}
/* -------------------------------------------------------------------- */
void ImbalanceGroup::info(FILE *fp)
{
if (_num > 0) {
const char * const * const names = _lmp->group->names;
fprintf(fp," group weights:");
for (int i = 0; i < _num; ++i)
fprintf(fp," %s=%g",names[_id[i]],_factor[i]);
fputs("\n",fp);
}
}
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