diff --git a/dpgen2/exploration/task/lmp_template_task_group.py b/dpgen2/exploration/task/lmp_template_task_group.py index d0b362f5..c1a4af4a 100644 --- a/dpgen2/exploration/task/lmp_template_task_group.py +++ b/dpgen2/exploration/task/lmp_template_task_group.py @@ -183,7 +183,9 @@ def revise_lmp_input_dump(lmp_lines, trj_freq, pimd_bead=None): lmp_pimd_traj_name % pimd_bead if pimd_bead is not None else lmp_traj_name ) lmp_lines[idx] = ( - f"dump dpgen_dump all custom %d {lmp_traj_file_name} id type x y z" + lmp_lines[idx] = ( + f"dump dpgen_dump all custom {trj_freq} {lmp_traj_file_name} id type x y z" + ) % trj_freq ) return lmp_lines