From d557e616ad5b390d2209cd641a4ef2e6116a8749 Mon Sep 17 00:00:00 2001 From: sjplimp Date: Sat, 25 Jan 2014 00:22:48 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11315 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- src/KIM/pair_kim.cpp | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/KIM/pair_kim.cpp b/src/KIM/pair_kim.cpp index a7466829ce..3391925b7a 100644 --- a/src/KIM/pair_kim.cpp +++ b/src/KIM/pair_kim.cpp @@ -931,7 +931,7 @@ void PairKIM::set_lmps_flags() lmps_using_newton = (force->newton_pair == 1); // setup lmps_stripped_neigh_list for neighbors of one atom, if needed - lmps_using_molecular = (atom->molecular == 1); + lmps_using_molecular = (atom->molecular > 0); if (lmps_using_molecular) { memory->destroy(lmps_stripped_neigh_list); memory->create(lmps_stripped_neigh_list,neighbor->oneatom,