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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1806 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2008-05-15 20:51:14 +00:00
parent 3ad5687000
commit 974ca5ee3b
1 changed files with 1 additions and 1 deletions
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src/pair_lj_gromacs_coul_gromacs.cpp
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@ -447,7 +447,7 @@ double PairLJGromacsCoulGromacs::single(int i, int j, int itype, int jtype,
r = sqrt(rsq);
tc = r - cut_coul_inner;
fswitchcoul = force->qqrd2e *
atom->q[i]*atom->q[j] * r*tc*tc * (coulsw1 + coulsw2*tcoul);
atom->q[i]*atom->q[j] * r*tc*tc * (coulsw1 + coulsw2*tc);
forcecoul += fswitchcoul;
}
} else forcecoul = 0.0;