diff --git a/src/pair_lj_cut.cpp b/src/pair_lj_cut.cpp index becf294526..38a8261996 100644 --- a/src/pair_lj_cut.cpp +++ b/src/pair_lj_cut.cpp @@ -698,7 +698,7 @@ void PairLJCut::write_data_all(FILE *fp) { for (int i = 1; i <= atom->ntypes; i++) for (int j = i; j <= atom->ntypes; j++) - fprintf(fp,"%d %d %g %g %g\n",i,j,epsilon[i][i],sigma[i][i],cut[i][j]); + fprintf(fp,"%d %d %g %g %g\n",i,j,epsilon[i][j],sigma[i][j],cut[i][j]); } /* ---------------------------------------------------------------------- */