[WIP] Optional brute force approach for RDF calculation #315
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This PR aims to improve the performance of
biotite.structure.rdf()
(issue #307): Although aCellList
scales well for a large number of centers, the brute-force approach, i.e. the pairwise distance measurement of all atoms is faster for a small number of centers. This PR adds an optionaluse_cell_list
parameter to give the user control about the approach. By default, the appropriate approach is chosen based on a threshold number of centers.