Skip to content

Commit

Permalink
Fix error message
Browse files Browse the repository at this point in the history
  • Loading branch information
ElliottKasoar committed Mar 20, 2024
1 parent a22dfd2 commit 05d9d0a
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion janus_core/cli.py
Original file line number Diff line number Diff line change
Expand Up @@ -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
Expand Down

0 comments on commit 05d9d0a

Please sign in to comment.