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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11829 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2014-04-18 15:25:28 +00:00
parent c62e2a91c4
commit f461504c93
60 changed files with 185 additions and 372 deletions
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2
src/MISC/compute_ti.cpp
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@ -200,7 +200,7 @@ double ComputeTI::compute_scalar()
else jt = ilo[m];
for (; jt <=ihi[m];jt++) {
if ((force->pair->tail_flag)&&(force->pair->setflag[it][jt])) {
double cut = force->pair->init_one(it,jt);
force->pair->init_one(it,jt);
eng += force->pair->etail_ij;
}
if (it !=jt) eng += force->pair->etail_ij;