structuretoolkit.analyse.spatial.get_voronoi_neighbors

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structuretoolkit.analyse.spatial.get_voronoi_neighbors#

structuretoolkit.analyse.spatial.get_voronoi_neighbors(structure: Atoms, width_buffer: float = 10) → ndarray[source]#

Get pairs of atom indices sharing the same Voronoi vertices/areas.

Parameters:: width_buffer (float) – Width of the layer to be added to account for pbc.
Returns:: Pair indices
Return type:: pairs (ndarray)