Ezpit is a Python-based software for calculating the pair distribution function (PDF) from an input model in XYZ format, This is useful for studying the structure of disordered materials. Currently, It can calculate I(q), S(q), F(q), and G(r) from the model. The software is still under development and will soon include a fit function with atomic displacement.
The current python code for the Easy(EZ) (P)air (D)istribution (F)unction including Compton scattering calculation
is shared.
The EZPDF code provides S(q), F(q), G(r), and Compton scattering pattern from the experimental I(q) data and the given composition.
Contributor: Gihan Kwon, Nghia Vo, Hui Zhong, Ajith Pattammattel - NSLS-II, Brookhaven National Laboratory, NY, US. Joshua Lynch - Taking a Break.