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