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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9037 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
pscrozi 2012-11-08 20:58:35 +00:00
parent ed53c9d2d5
commit dd022fc64f
1 changed files with 1 additions and 0 deletions
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src/KSPACE/pair_born_coul_long.cpp
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@ -158,6 +158,7 @@ void PairBornCoulLong::compute(int eflag, int vflag)
} else forcecoul = 0.0;
if (rsq < cut_ljsq[itype][jtype]) {
r = sqrt(rsq);
r6inv = r2inv*r2inv*r2inv;
rexp = exp((sigma[itype][jtype]-r)*rhoinv[itype][jtype]);
forceborn = born1[itype][jtype]*r*rexp - born2[itype][jtype]*r6inv