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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8787 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2012-09-14 14:10:27 +00:00
parent ea0ce8fec7
commit 52626080b7
1 changed files with 1 additions and 1 deletions
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src/KSPACE/pair_born_coul_long.cpp
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@ -284,7 +284,7 @@ double PairBornCoulLong::init_one(int i, int j)
born3[i][j] = 8.0*d[i][j];
if (offset_flag) {
double rexp = exp(-cut_lj[i][j]*rhoinv[i][j]);
double rexp = exp((sigma[i][j]-cut[i][j])*rhoinv[i][j]);
offset[i][j] = a[i][j]*rexp - c[i][j]/pow(cut_lj[i][j],6.0) +
d[i][j]/pow(cut_lj[i][j],8.0);
} else offset[i][j] = 0.0;