From b5ab71d568224f9c99531424ae4590c2f558d9cb Mon Sep 17 00:00:00 2001 From: Jan Janssen Date: Tue, 25 Jun 2024 12:02:19 +0200 Subject: [PATCH] Update __init__.py --- atomistics/calculators/__init__.py | 70 ++++++++++++++---------------- 1 file changed, 32 insertions(+), 38 deletions(-) diff --git a/atomistics/calculators/__init__.py b/atomistics/calculators/__init__.py index 7836bc7d..39cec215 100644 --- a/atomistics/calculators/__init__.py +++ b/atomistics/calculators/__init__.py @@ -37,44 +37,38 @@ except ImportError: pass -try: - from atomistics.calculators.lammps import ( - calc_molecular_dynamics_thermal_expansion_with_lammps, - calc_molecular_dynamics_nph_with_lammps, - calc_molecular_dynamics_npt_with_lammps, - calc_molecular_dynamics_nvt_with_lammps, - calc_molecular_dynamics_langevin_with_lammps, - calc_static_with_lammps, - evaluate_with_lammps, - evaluate_with_lammps_library, - get_potential_dataframe, - get_potential_by_name, - optimize_positions_and_volume_with_lammps, - optimize_positions_with_lammps, - ) +from atomistics.calculators.lammps import ( + calc_molecular_dynamics_thermal_expansion_with_lammps, + calc_molecular_dynamics_nph_with_lammps, + calc_molecular_dynamics_npt_with_lammps, + calc_molecular_dynamics_nvt_with_lammps, + calc_molecular_dynamics_langevin_with_lammps, + calc_static_with_lammps, + evaluate_with_lammps, + evaluate_with_lammps_library, + get_potential_dataframe, + get_potential_by_name, + optimize_positions_and_volume_with_lammps, + optimize_positions_with_lammps, +) - __all__ += [ - calc_molecular_dynamics_thermal_expansion_with_lammps, - calc_molecular_dynamics_nph_with_lammps, - calc_molecular_dynamics_npt_with_lammps, - calc_molecular_dynamics_nvt_with_lammps, - calc_molecular_dynamics_langevin_with_lammps, - calc_static_with_lammps, - evaluate_with_lammps, - evaluate_with_lammps_library, - get_potential_dataframe, - get_potential_by_name, - optimize_positions_and_volume_with_lammps, - optimize_positions_with_lammps, - ] -except ImportError: - pass +__all__ += [ + calc_molecular_dynamics_thermal_expansion_with_lammps, + calc_molecular_dynamics_nph_with_lammps, + calc_molecular_dynamics_npt_with_lammps, + calc_molecular_dynamics_nvt_with_lammps, + calc_molecular_dynamics_langevin_with_lammps, + calc_static_with_lammps, + evaluate_with_lammps, + evaluate_with_lammps_library, + get_potential_dataframe, + get_potential_by_name, + optimize_positions_and_volume_with_lammps, + optimize_positions_with_lammps, +] -try: - from atomistics.calculators.lammps.phonon import ( - calc_molecular_dynamics_phonons_with_lammps, - ) +from atomistics.calculators.lammps.phonon import ( + calc_molecular_dynamics_phonons_with_lammps, +) - __all__ += [calc_molecular_dynamics_phonons_with_lammps] -except ImportError: - pass +__all__ += [calc_molecular_dynamics_phonons_with_lammps]