- matlantis_features.features.phonon.symmetry.get_permutations(pos_a: ndarray, pos_b: ndarray, symprec: float = 1e-05) ndarray #
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Get the permuation index which enables pos_b = pos_a[ind].
- Parameters
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pos_a (np.ndarray) – coordinations before permutation.
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pos_b (np.ndarray) – coordinations after permutation.
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symprec (float, optional) – distance tolerance to find crystal symmetry. Defaults to 1e-05.
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- Returns
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the permuation index.
- Return type
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np.ndarray
Resource Library
matlantis_features.features.phonon.symmetry.get_permutations