diff --git a/src/KSPACE/pair_born_coul_long.cpp b/src/KSPACE/pair_born_coul_long.cpp index 5260e5f7e0..49e4c03e32 100644 --- a/src/KSPACE/pair_born_coul_long.cpp +++ b/src/KSPACE/pair_born_coul_long.cpp @@ -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