diff --git a/pair_ufm.cpp b/pair_ufm.cpp index e41680f..a3b4025 100644 --- a/pair_ufm.cpp +++ b/pair_ufm.cpp @@ -131,7 +131,7 @@ void PairUFM::compute(int eflag, int vflag) if (rsq < cutsq[itype][jtype]) { expuf = exp(- rsq * uf2[itype][jtype]); - fpair = factor * uf1[itype][jtype] * expuf /(1.0 - expuf) * fscale[itype][jtype] * scale[itype][jtype]; + fpair = factor * fscale[itype][jtype] * scale[itype][jtype] * uf1[itype][jtype] * expuf/(1.0 - expuf); f[i][0] += delx*fpair; f[i][1] += dely*fpair;