rdf

This is summary documentation for hippynn.molecular_dynamics.rdf module. Click here for full documentation.

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Functions

calculate_adf(positions, cutoffs[, cells, ...])	Computes ADFs for given cutoffs.
calculate_rdf(positions, cutoff[, cells, ...])	Computes the RDF.
check_KDTree_compatibility(cells, cutoff)	cells must be collapsed to (3,) cell representations
ensure_positions_cells_compatibility(...)
ensure_positions_species_compatibility(...)
find_triples(jlist_pad, rijlist_pad)
get_KDTree_tree(positions, cell)	cells must be collapsed to (3,) cell representations
jit(*args, **kwargs)