diff --git a/examples/kim/in.kim.lj b/examples/kim/in.kim.lj index 3f59442659..38e5a4c042 100644 --- a/examples/kim/in.kim.lj +++ b/examples/kim/in.kim.lj @@ -22,14 +22,14 @@ create_atoms 1 box #pair_coeff 1 1 0.0031 2.7400 #pair_modify shift yes -pair_style kim model_Ne_P_LJ +pair_style kim model_Ne_P_fastLJ pair_coeff * * Ne mass 1 20.18 velocity all create 200.0 232345 loop geom neighbor 0.3 bin -neigh_modify delay 5 every 1 check yes +neigh_modify delay 0 every 1 check yes fix 1 all nve #fix 1 all npt temp 1.0 1.0 1.0 iso 1.0 1.0 3.0