Update dpgen2/exploration/task/lmp_template_task_group.py

Co-authored-by: coderabbitai[bot] <136622811+coderabbitai[bot]@users.noreply.github.com>
deepmodeling · Oct 2, 2024 · 02b6f97 · 02b6f97
1 parent db0e577
commit 02b6f97
Showing 1 changed file with 3 additions and 1 deletion.
diff --git 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