Coordination Number Class Documentation¶
- class mdsuite.calculators.coordination_number_calculation.CoordinationNumbers(**kwargs)[source]¶
Class for the calculation of coordination numbers.
- experiment¶
Class object of the experiment.
- Type:
class object
- data_range¶
Range over which the property should be evaluated. This is not applicable to the current analysis as the full rdf will be calculated.
- Type:
int (default=500)
- rdf_data¶
RDF data from the user to use in the computation.
- Type:
Examples
experiment.run.CoordinationNumbers( savgol_order = 2, savgol_window_length = 17 )