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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9038 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
pscrozi 2012-11-08 20:58:56 +00:00
parent dd022fc64f
commit 31c2a6f05f
1 changed files with 1 additions and 0 deletions
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src/KSPACE/pair_buck_coul_long.cpp
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@ -150,6 +150,7 @@ void PairBuckCoulLong::compute(int eflag, int vflag)
} else forcecoul = 0.0;
if (rsq < cut_ljsq[itype][jtype]) {
r = sqrt(rsq);
r6inv = r2inv*r2inv*r2inv;
rexp = exp(-r*rhoinv[itype][jtype]);
forcebuck = buck1[itype][jtype]*r*rexp - buck2[itype][jtype]*r6inv;