diff --git a/src/USER-INTEL/pair_lj_cut_coul_long_intel.cpp b/src/USER-INTEL/pair_lj_cut_coul_long_intel.cpp index 929ac2123f..243c7f577d 100644 --- a/src/USER-INTEL/pair_lj_cut_coul_long_intel.cpp +++ b/src/USER-INTEL/pair_lj_cut_coul_long_intel.cpp @@ -525,8 +525,10 @@ void PairLJCutCoulLongIntel::pack_force_const(ForceConst &fc, double cut; if (setflag[i][j] != 0 || (setflag[i][i] != 0 && setflag[j][j] != 0)) cut = init_one(i, j); - else + else { // need to set cutsq and cut_ljsq for hybrid pair_style cut = 0.0; + cut_ljsq[i][j] = cut_ljsq[j][i] = 0.0; + } cutsq[i][j] = cutsq[j][i] = cut*cut; } }