From 750918c03d05ccea76a83b432e3e6484d812e7e3 Mon Sep 17 00:00:00 2001 From: Han Wang <92130845+wanghan-iapcm@users.noreply.github.com> Date: Wed, 2 Oct 2024 15:21:03 +0800 Subject: [PATCH] Update lmp_template_task_group.py --- dpgen2/exploration/task/lmp_template_task_group.py | 5 +---- 1 file changed, 1 insertion(+), 4 deletions(-) diff --git a/dpgen2/exploration/task/lmp_template_task_group.py b/dpgen2/exploration/task/lmp_template_task_group.py index c1a4af4a..37b1e475 100644 --- a/dpgen2/exploration/task/lmp_template_task_group.py +++ b/dpgen2/exploration/task/lmp_template_task_group.py @@ -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