atomistics.workflows.phonons.helper.restore_magmoms

atomistics.workflows.phonons.helper.restore_magmoms#

atomistics.workflows.phonons.helper.restore_magmoms(structure_with_magmoms: Atoms, structure: Atoms, interaction_range: float, cell: ndarray) → Atoms[source]#

Restore the magnetic moments to the structure.

Parameters:

  • structure_with_magmoms (ase.atoms.Atoms) – The input structure with magnetic moments.

  • structure (ase.atoms.Atoms) – The input structure without magnetic moments.

  • interaction_range (float) – The interaction range.

  • cell (np.ndarray) – The cell.

Returns:

The output structure with magnetic moments.

Return type:

ase.atoms.Atoms