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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4770 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2010-09-10 17:28:15 +00:00
parent d00a76fdea
commit 9a0acc9585
3 changed files with 21 additions and 4 deletions
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4
src/fix_temp_rescale.cpp
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@ -127,8 +127,9 @@ void FixTempRescale::end_of_step()
int *mask = atom->mask;
int nlocal = atom->nlocal;
energy += (t_current-t_target) * efactor;
if (which == NOBIAS) {
energy += (t_current-t_target) * efactor;
for (int i = 0; i < nlocal; i++) {
if (mask[i] & groupbit) {
v[i][0] *= factor;
@ -137,7 +138,6 @@ void FixTempRescale::end_of_step()
}
}
} else {
energy += (t_current-t_target) * efactor;
for (int i = 0; i < nlocal; i++) {
if (mask[i] & groupbit) {
temperature->remove_bias(i,v[i]);