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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9263 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
pscrozi 2013-01-11 19:05:27 +00:00
parent fafd420f35
commit 4277a7d8e6
1 changed files with 32 additions and 3 deletions
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35
src/fix_heat.cpp
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@ -292,9 +292,38 @@ void FixHeat::end_of_step()
double FixHeat::compute_scalar()
{
// NOTE: what should this be for per-atom case?
return scale;
double average_scale = scale;
if (hstyle == ATOM) {
double scale_sum = 0.0;
int ncount = 0;
int *mask = atom->mask;
double **x = atom->x;
int nlocal = atom->nlocal;
if (iregion < 0) {
for (int i = 0; i < nlocal; i++) {
if (mask[i] & groupbit) {
scale_sum += sqrt(vscale[i]);
ncount++;
}
}
} else {
Region *region;
region = domain->regions[iregion];
for (int i = 0; i < nlocal; i++) {
if (mask[i] & groupbit && region->match(x[i][0],x[i][1],x[i][2])) {
scale_sum += sqrt(vscale[i]);
ncount++;
}
}
}
double scale_sum_all = 0.0;
int ncount_all = 0;
MPI_Allreduce(&scale_sum,&scale_sum_all,1,MPI_DOUBLE,MPI_SUM,world);
MPI_Allreduce(&ncount,&ncount_all,1,MPI_INT,MPI_SUM,world);
if (ncount_all == 0) average_scale = 0.0;
else average_scale = scale_sum_all/static_cast<double>(ncount_all);
}
return average_scale;
}
/* ----------------------------------------------------------------------