diff --git a/python/examples/pylammps/elastic/elastic.py b/python/examples/pylammps/elastic/elastic.py index e4cad11736..48f97925da 100644 --- a/python/examples/pylammps/elastic/elastic.py +++ b/python/examples/pylammps/elastic/elastic.py @@ -6,7 +6,7 @@ def potential(lmp, args): """ set up potential and minimization """ ff_string = ' ' ff_string = ff_string.join(args.elements) # merge all element string to one string - lmp.kim_interactions(ff_string) + lmp.kim("interactions", ff_string) # Setup neighbor style lmp.neighbor(1.0, "nsq") @@ -36,7 +36,7 @@ def displace(lmp, args, idir): # Reset box and simulation parameters lmp.clear() lmp.box("tilt large") - lmp.kim_init(args.kim_model, "metal", "unit_conversion_mode") + lmp.kim("init", args.kim_model, "metal", "unit_conversion_mode") lmp.read_restart("restart.equil") lmp.change_box("all triclinic") potential(lmp, args) @@ -83,7 +83,7 @@ def displace(lmp, args, idir): # Reset box and simulation parameters lmp.clear() lmp.box("tilt large") - lmp.kim_init(args.kim_model, "metal", "unit_conversion_mode") + lmp.kim("init", args.kim_model, "metal", "unit_conversion_mode") lmp.read_restart("restart.equil") lmp.change_box("all triclinic") potential(lmp, args)