diff --git a/src/KSPACE/pair_born_coul_long.cpp b/src/KSPACE/pair_born_coul_long.cpp index 3c5bdba226..35820691b3 100644 --- a/src/KSPACE/pair_born_coul_long.cpp +++ b/src/KSPACE/pair_born_coul_long.cpp @@ -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;