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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12677 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2014-10-31 14:46:50 +00:00
parent a14517d106
commit 52408b16d2
1 changed files with 3 additions and 3 deletions
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6
lib/gpu/lal_answer.cpp
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@ -248,9 +248,9 @@ double AnswerT::energy_virial(double *eatom, double **vatom,
for (int i=vstart; i<iend; i++) for (int i=vstart; i<iend; i++)
virial[j]+=engv[i]; virial[j]+=engv[i];
if (_vf_atom) if (_vf_atom)
if (_ilist==NULL) { if (_ilist==NULL) {
for (int i=vstart; i<iend; i++) for (int i=vstart, ii=0; i<iend; i++)
vatom[i++][j]+=engv[i]; vatom[ii++][j]+=engv[i];
} else { } else {
for (int i=vstart, ii=0; i<iend; i++) for (int i=vstart, ii=0; i<iend; i++)
vatom[_ilist[ii++]][j]+=engv[i]; vatom[_ilist[ii++]][j]+=engv[i];