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Revert "fix: remove lmp_traj from forward_files in run_md_model_devi" (
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wanghan-iapcm authored Sep 13, 2022
1 parent 368e179 commit 72764d9
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion dpgen/generator/run.py
Original file line number Diff line number Diff line change
Expand Up @@ -1513,7 +1513,7 @@ def run_md_model_devi (iter_index,
lmp_traj_name = 'traj'
if model_devi_merge_traj :
lmp_traj_name = 'all.lammpstrj'
forward_files = ['conf.lmp', 'input.lammps']
forward_files = ['conf.lmp', 'input.lammps', lmp_traj_name]
backward_files = ['model_devi.out', 'model_devi.log', lmp_traj_name]
if use_plm:
forward_files += ['input.plumed']
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