diff --git a/src/USER-DRUDE/pair_lj_cut_thole_long.cpp b/src/USER-DRUDE/pair_lj_cut_thole_long.cpp index 9b61bebaf6..f5d5467a9c 100644 --- a/src/USER-DRUDE/pair_lj_cut_thole_long.cpp +++ b/src/USER-DRUDE/pair_lj_cut_thole_long.cpp @@ -54,6 +54,7 @@ using namespace MathConst; PairLJCutTholeLong::PairLJCutTholeLong(LAMMPS *lmp) : Pair(lmp) { ewaldflag = pppmflag = 1; + single_enable = 0; writedata = 1; ftable = NULL; qdist = 0.0;