diff --git a/dpgen/generator/lib/lammps.py b/dpgen/generator/lib/lammps.py index 2463bbfe3..a640af4e8 100644 --- a/dpgen/generator/lib/lammps.py +++ b/dpgen/generator/lib/lammps.py @@ -108,6 +108,7 @@ def make_lammps_input( model_devi_merge_traj = jdata.get("model_devi_merge_traj", False) if model_devi_merge_traj is True: ret += "dump 1 all custom ${DUMP_FREQ} all.lammpstrj id type x y z fx fy fz\n" + ret += 'if "${restart} > 0" then "dump_modify 1 append yes"\n' else: ret += "dump 1 all custom ${DUMP_FREQ} traj/*.lammpstrj id type x y z fx fy fz\n" ret += "restart 10000 dpgen.restart\n"