diff --git a/pyiron_atomistics/thermodynamics/interfacemethod.py b/pyiron_atomistics/thermodynamics/interfacemethod.py index ddf803555..c5a393199 100644 --- a/pyiron_atomistics/thermodynamics/interfacemethod.py +++ b/pyiron_atomistics/thermodynamics/interfacemethod.py @@ -39,7 +39,7 @@ def freeze_one_half(basis): Returns: pyiron_atomistics.structure.atoms.Atoms: Atomistic structure object with half of the atoms fixed """ - basis.add_tag(selective_dynamics=None) + basis.add_tag(selective_dynamics=[True, True, True]) _, _, z = basis.scaled_pos_xyz() for selector, ind in zip(z < 0.5, range(len(basis))): if selector: