From 00d982c823e767172fae20688c68a79636edde29 Mon Sep 17 00:00:00 2001 From: Han Wang <92130845+wanghan-iapcm@users.noreply.github.com> Date: Tue, 13 Sep 2022 09:07:43 +0800 Subject: [PATCH] Revert "fix: remove lmp_traj from forward_files in run_md_model_devi (#944)" This reverts commit 368e179e6b62fdaf71b9db8cdc26f9806a87ebab. --- dpgen/generator/run.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/dpgen/generator/run.py b/dpgen/generator/run.py index 2a4807532..7244e6af3 100644 --- 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'] + 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']