structuretoolkit.analyse.get_symmetry

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structuretoolkit.analyse.get_symmetry#

structuretoolkit.analyse.get_symmetry(structure, use_magmoms=False, use_elements=True, symprec=1e-05, angle_tolerance=-1.0)[source]#
Parameters:

  • structure (Atoms) – The structure to analyse.

  • use_magmoms (bool) – Whether to consider magnetic moments (cf.

  • get_initial_magnetic_moments

  • use_elements (bool) – If False, chemical elements will be ignored

  • symprec (float) – Symmetry search precision

  • angle_tolerance (float) – Angle search tolerance

Returns:

Symmetry class

Return type:

symmetry (structuretoolkit.analyse.symmetry.Symmetry)

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