maximumClusterDiameter

maximumClusterDiameter(configuration, selection, maximum_expansion_order=None)

Calculate the starting/default values for the maximum cluster diameters for each expansion order [2, 9] for the given configuration and atom selection.

Parameters:

• configuration (BulkConfiguration) – The configuration.

• selection (sequence of type int) – The selected atoms.

• maximum_expansion_order (int) – If given, return the maximum cluster diameters up to this order.

Returns:

All or a particular maximum cluster diameter.

Return type:

dict