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
Source repository
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
Graphical user interface
A graphical interface (under development) is available under Oasys: https://github.com/oasys-kit/OASYS-CRYSTALPY