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]#
Parameters:

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

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

  • interaction_range (float)

  • cell (np.ndarray)

Returns:

output structure with magnetic moments

Return type:

structure (ase.atoms.Atoms)

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