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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1653 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2008-03-20 15:32:33 +00:00
parent 08e197abc7
commit 4b237db3de
26 changed files with 122 additions and 100 deletions
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20
src/compute_temp_com.cpp
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@ -188,9 +188,11 @@ void ComputeTempCOM::compute_vector()
void ComputeTempCOM::remove_bias(int i, double *v)
{
if (tbias) tbias->remove_bias(i,v);
v[0] -= vbias[0];
v[1] -= vbias[1];
v[2] -= vbias[2];
if (atom->mask[i] & groupbit) {
v[0] -= vbias[0];
v[1] -= vbias[1];
v[2] -= vbias[2];
}
}
/* ----------------------------------------------------------------------
@ -218,12 +220,14 @@ void ComputeTempCOM::remove_bias_all()
assume remove_bias() was previously called
------------------------------------------------------------------------- */
void ComputeTempCOM::restore_bias(double *v)
void ComputeTempCOM::restore_bias(int i, double *v)
{
v[0] += vbias[0];
v[1] += vbias[1];
v[2] += vbias[2];
if (tbias) tbias->restore_bias(v);
if (atom->mask[i] & groupbit) {
v[0] += vbias[0];
v[1] += vbias[1];
v[2] += vbias[2];
}
if (tbias) tbias->restore_bias(i,v);
}
/* ----------------------------------------------------------------------