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.
https://crystalpy.readthedocs.io/
https://github.com/oasys-kit/crystalpy
Crystalpy can be installed with Python 3.x:
$ python -m pip install crystalpyJean-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
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.