diff --git a/atomistics/calculators/lammps.py b/atomistics/calculators/lammps.py index aec31874..65eae009 100644 --- a/atomistics/calculators/lammps.py +++ b/atomistics/calculators/lammps.py @@ -61,7 +61,7 @@ def evaluate_with_lammps_library( tasks: list[TaskName], potential_dataframe: DataFrame, lmp: LammpsASELibrary, - lmp_optimizer_kwargs: dict, + lmp_optimizer_kwargs: dict = {}, ): results = {} if "optimize_positions_and_volume" in tasks: