diff --git a/sella/optimize/optimize.py b/sella/optimize/optimize.py index d33d1ff..414c166 100644 --- a/sella/optimize/optimize.py +++ b/sella/optimize/optimize.py @@ -42,7 +42,7 @@ def __init__( atoms: Atoms, restart: bool = None, logfile: str = '-', - trajectory: str = None, + trajectory: Union[str, Trajectory] = None, master: bool = None, force_consistent: bool = False, delta0: float = None,