diff --git a/examples/python/in.fix_python_invoke_neighlist b/examples/python/in.fix_python_invoke_neighlist index 36d4bffe67..50f1d52c33 100644 --- a/examples/python/in.fix_python_invoke_neighlist +++ b/examples/python/in.fix_python_invoke_neighlist @@ -24,13 +24,17 @@ from lammps import lammps def post_force_callback(lmp, v): try: + import os + pid = os.getpid() + pid_prefix = "[{}] ".format(pid) + L = lammps(ptr=lmp) t = L.extract_global("ntimestep", 0) - print("### POST_FORCE ###", t) + print(pid_prefix, "### POST_FORCE ###", t) #mylist = L.get_neighlist(0) mylist = L.find_pair_neighlist("lj/cut", request=0) - print(mylist) + print(pid_prefix, mylist) nlocal = L.extract_global("nlocal", 0) nghost = L.extract_global("nghost", 0) ntypes = L.extract_global("ntypes", 0) @@ -41,18 +45,18 @@ def post_force_callback(lmp, v): f = L.numpy.extract_atom_darray("f", nlocal+nghost, dim=3) for iatom, numneigh, neighs in mylist: - print("- {}".format(iatom), x[iatom], v[iatom], f[iatom], " : ", numneigh, "Neighbors") + print(pid_prefix, "- {}".format(iatom), x[iatom], v[iatom], f[iatom], " : ", numneigh, "Neighbors") for jatom in neighs: if jatom < nlocal: - print(" * ", jatom, x[jatom], v[jatom], f[jatom]) + print(pid_prefix, " * ", jatom, x[jatom], v[jatom], f[jatom]) else: - print(" * [GHOST]", jatom, x[jatom], v[jatom], f[jatom]) + print(pid_prefix, " * [GHOST]", jatom, x[jatom], v[jatom], f[jatom]) except Exception as e: print(e) """ fix 1 all nve -fix 3 all python/invoke 1 post_force post_force_callback +fix 3 all python/invoke 50 post_force post_force_callback #dump id all atom 1 dump.melt @@ -65,4 +69,4 @@ fix 3 all python/invoke 1 post_force post_force_callback #dump_modify 3 pad 3 thermo 1 -run 1 +run 100