From 05d9d0aa7a5c812d56842b0d3df5bbbd1c96624b Mon Sep 17 00:00:00 2001 From: ElliottKasoar Date: Wed, 20 Mar 2024 15:41:03 +0000 Subject: [PATCH] Fix error message --- janus_core/cli.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/janus_core/cli.py b/janus_core/cli.py index 11c738d2..b07491ab 100644 --- a/janus_core/cli.py +++ b/janus_core/cli.py @@ -286,7 +286,7 @@ def geomopt( # pylint: disable=too-many-arguments,too-many-locals # Check trajectory not duplicated if "trajectory" in opt_kwargs: - raise ValueError("'trajectory' must be passed through the --traj_file option") + raise ValueError("'trajectory' must be passed through the --traj option") # Set same name to overwrite saved binary with xyz opt_kwargs["trajectory"] = traj_file if traj_file else None