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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2627 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2009-03-05 21:28:03 +00:00
parent 381f4f97b9
commit c3e5f44e39
1 changed files with 5 additions and 3 deletions
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8
src/pair_hybrid.cpp
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@ -581,9 +581,11 @@ double PairHybrid::single(int i, int j, int itype, int jtype,
double esum = 0.0;
for (int m = 0; m < nmap[itype][jtype]; m++) {
esum += styles[map[itype][jtype][m]]->
single(i,j,itype,jtype,rsq,factor_coul,factor_lj,fone);
fforce += fone;
if (rsq < styles[map[itype][jtype][m]]->cutsq[itype][jtype]) {
esum += styles[map[itype][jtype][m]]->
single(i,j,itype,jtype,rsq,factor_coul,factor_lj,fone);
fforce += fone;
}
}
return esum;