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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@591 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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pscrozi
2007-06-01 00:05:02 +00:00
parent df6168bbfe
commit 87f60e997a
1 changed files with 1 additions and 1 deletions
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src/fix_heat.cpp
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@ -71,7 +71,7 @@ void FixHeat::end_of_step()
double vsub[3],vcm[3]; double vsub[3],vcm[3];
double ke = group->ke(igroup); double ke = group->ke(igroup)*force->ftm2v;
group->vcm(igroup,masstotal,vcm); group->vcm(igroup,masstotal,vcm);
double vcmsq = vcm[0]*vcm[0] + vcm[1]*vcm[1] + vcm[2]*vcm[2]; double vcmsq = vcm[0]*vcm[0] + vcm[1]*vcm[1] + vcm[2]*vcm[2];
double escale = (ke + heat - 0.5*vcmsq*masstotal)/(ke - 0.5*vcmsq*masstotal); double escale = (ke + heat - 0.5*vcmsq*masstotal)/(ke - 0.5*vcmsq*masstotal);