structuretoolkit.analyse.spatial.get_delaunay_neighbors

structuretoolkit.analyse.spatial.get_delaunay_neighbors(structure: Atoms, width_buffer: float = 10.0) → ndarray

Get indices of atoms sharing the same Delaunay tetrahedrons (commonly known as Delaunay triangles), i.e. indices of neighboring atoms, which form a tetrahedron, in which no other atom exists.

Parameters:

width_buffer (float) – Width of the layer to be added to account for pbc.

Returns:

Delaunay neighbor indices

Return type:

pairs (ndarray)