Crystallographic Python library

Leon Brillouin Laboratory UMR12 CEA-CNRS

EURIZON 2020 (871072)

CrysPy is an open source program package that was originally developed for polarized neutron diffraction data analysis. The package allows the data treatment both for powders and single-crystal samples. Nuclear and (commensurate) magnetic structures refinement can be also perfomed based on the unpolarized neutron diffraction and X-ray diffraction data.

Before installing CrysPy on your computer, try it in a Web Browser by clicking on the link.

Features

CrysPy allows one to analyse the local magnetic anisotropy by the susceptibility approach and the spin/magnetization densities reconstruction by maximume entropy procedure based on polarized neutron diffraction experiments;
Core CIF dictionary of the IUCr is used to cover the requirements of archiving and exchanging the data and derived magnetic and structural results;
The library is written in Python. It can be used in Jupyter notebooks under the main platforms Windows, MacOSX and Linux or as a standalone application with a simple graphical user interface "CrysPy Editor".

Collaboration

If you have any suggestions or bug reports, please email me at yurikibalin@outlook.com

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