diff --git a/atomistics/calculators/lammps/calculator.py b/atomistics/calculators/lammps/calculator.py index da8a2be8..d630b538 100644 --- a/atomistics/calculators/lammps/calculator.py +++ b/atomistics/calculators/lammps/calculator.py @@ -25,7 +25,10 @@ LAMMPS_RUN, LAMMPS_MINIMIZE_VOLUME, ) -from atomistics.calculators.lammps.output import LammpsOutputMolecularDynamics, LammpsOutputStatic +from atomistics.calculators.lammps.output import ( + LammpsOutputMolecularDynamics, + LammpsOutputStatic, +) if TYPE_CHECKING: from ase import Atoms diff --git a/atomistics/calculators/qe.py b/atomistics/calculators/qe.py index e2374c62..a977fe6a 100644 --- a/atomistics/calculators/qe.py +++ b/atomistics/calculators/qe.py @@ -210,7 +210,9 @@ def calc_static_with_qe( call_qe_via_ase_command( calculation_name=calculation_name, working_directory=working_directory ) - return QuantumEspressoOutputStatic.get(QEStaticParser(filename=output_file_name), *quantities) + return QuantumEspressoOutputStatic.get( + QEStaticParser(filename=output_file_name), *quantities + ) @as_task_dict_evaluator