fix: remove lmp_traj from forward_files in run_md_model_devi (#944)

`lmp_traj` should not be in `forward_files` in `run_model_devi` step.
deepmodeling · Sep 13, 2022 · 368e179 · 368e179
1 parent 865a3d2
commit 368e179
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/dpgen/generator/run.py b/dpgen/generator/run.py
@@ -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', lmp_traj_name]
+        forward_files = ['conf.lmp', 'input.lammps']
         backward_files = ['model_devi.out', 'model_devi.log', lmp_traj_name]
         if use_plm:
             forward_files += ['input.plumed']