diff --git a/atomistics/calculators/lammps/__init__.py b/atomistics/calculators/lammps/__init__.py index 54f7493b..db52b874 100644 --- a/atomistics/calculators/lammps/__init__.py +++ b/atomistics/calculators/lammps/__init__.py @@ -19,11 +19,15 @@ from atomistics.calculators.lammps.phonon import ( calc_molecular_dynamics_phonons_with_lammps, ) + + __all__ = [ + calc_molecular_dynamics_phonons_with_lammps, + ] except ImportError: - pass + __all__ = [] -__all__ = [ +__all__ += [ calc_molecular_dynamics_thermal_expansion_with_lammps, calc_molecular_dynamics_nph_with_lammps, calc_molecular_dynamics_npt_with_lammps, @@ -36,5 +40,4 @@ optimize_positions_with_lammps, get_potential_dataframe, get_potential_by_name, - calc_molecular_dynamics_phonons_with_lammps, ]