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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13194 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2015-03-05 15:40:04 +00:00
parent 5f1776e2ba
commit 98c263cd00
1 changed files with 3 additions and 9 deletions
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12
src/compute_temp_partial.cpp
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@ -218,9 +218,9 @@ void ComputeTempPartial::remove_bias_all()
}
/* ----------------------------------------------------------------------
reset thermal velocity of atoms to be consistent with bias
called from velocity command after creating thermal velocities
needed to re-zero components that should stay zero
reset thermal velocity of all atoms to be consistent with bias
called from velocity command after it creates thermal velocities
this re-zero components that should stay zero
------------------------------------------------------------------------- */
void ComputeTempPartial::reapply_bias_all()
@ -229,12 +229,6 @@ void ComputeTempPartial::reapply_bias_all()
int *mask = atom->mask;
int nlocal = atom->nlocal;
if (nlocal > maxbias) {
memory->destroy(vbiasall);
maxbias = atom->nmax;
memory->create(vbiasall,maxbias,3,"temp/partial:vbiasall");
}
if (!xflag) {
for (int i = 0; i < nlocal; i++)
if (mask[i] & groupbit) v[i][0] = 0.0;