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Update lmp_template_task_group.py
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wanghan-iapcm authored Oct 2, 2024
1 parent 02b6f97 commit 750918c
Showing 1 changed file with 1 addition and 4 deletions.
5 changes: 1 addition & 4 deletions dpgen2/exploration/task/lmp_template_task_group.py
Original file line number Diff line number Diff line change
Expand Up @@ -183,10 +183,7 @@ 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] = (
lmp_lines[idx] = (
f"dump dpgen_dump all custom {trj_freq} {lmp_traj_file_name} id type x y z"
)
% trj_freq
f"dump dpgen_dump all custom {trj_freq} {lmp_traj_file_name} id type x y z"
)
return lmp_lines

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