ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11315 f3b2605a-c512-4ea7-a41b-209d697bcdaa

Browse Source
This commit is contained in:
sjplimp
2014-01-25 00:22:48 +00:00
parent fd56a3d416
commit d557e616ad
1 changed files with 1 additions and 1 deletions
Download Patch File Download Diff File Expand all files Collapse all files

2
src/KIM/pair_kim.cpp
View File

@ -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,