structuretoolkit.common.helper.set_indices

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structuretoolkit.common.helper.set_indices#

structuretoolkit.common.helper.set_indices(structure: Atoms, indices: ndarray) → Atoms[source]#

Set the indices of atoms in the structure to the specified values.

Parameters:

  • structure (ase.atoms.Atoms) – The atomic structure.

  • indices (numpy.ndarray) – The indices of atoms to be set.

Returns:

The modified atomic structure.

Return type:

ase.atoms.Atoms

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