ess.diffraction.pdf.running_coordination_number

ess.diffraction.pdf.running_coordination_number(rdf)

Compute the running coordination number from a radial distribution function.

Computes the running coordination number

\[C(r) = \int_0^r\, \text{RDF}(r') \text{d}r'\]

where \(\text{RDF}(r)\) is the radial_distribution_function().

Parameters:

rdf (DataArray) – Radial distribution function \(\text{RDF}(r)\).

Returns:

c (scipp.DataArray) – 1D array representing \(C(r)\).

See also

ess.diffraction.pdf

Module with related functions.