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crystalpy

About

Python tools for X-ray diffraction in perfect crystals.

Contains code to calculate diffraction for perfect crystals using dynamical diffraction theory. It uses the Zachariasen formalism. It contain tools to simulate polarization of crystals by Mueller/Stokes optics.

Documentation

https://crystalpy.readthedocs.io/

Source repository

https://github.com/oasys-kit/crystalpy

Quick-installation

Crystalpy can be installed with Python 3.x:

$ python -m pip install crystalpy

Reference

Jean-Pierre Guigay, Manuel Sanchez del Rio Formulation of perfect-crystal diffraction from Takagi–Taupin equations: numerical implementation in the crystalpy library

Journal of Synchrotron Radiation (2024) 31: 6. 1469-1480

http://dx.doi.org/10.1107/S160057752400924X

Graphical user interface

A graphical interface is available under Oasys2. You need to install the ESRF extensions https://github.com/oasys-esrf-kit/OASYS2-ESRF-EXTENSIONS. The CRYSTALPY widget is found in the ESRF extension of XOPPY.

Metadata

Release files for crystalpy 0.0.28

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Source distribution for crystalpy 0.0.28
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