A python based framework for dynamic diffraction calculations of crystals.
Project description
Dynamic Diffraction Module
A repository meant for (python based) functions on the dynamic diffraction theory. It is closely related to the Matlab written https://gitlab.desy.de/patrick.rauer/MatlabDiffractionStuff. The structure, however, is based on the Dynamic Diffraction submodule of the pXCP framework.
- Documentation: https://patrick.rauer.gitlab.desy.io/dynamic-diffraction-module
- GitLab: https://gitlab.desy.de/patrick.rauer/dynamic-diffraction-module
- PyPI: https://pypi.org/project/dynamic-diffraction-module/
Features
Currently, the scope of the package is rather rudimentary. It includes:
- computing the (modified) Bragg energy for any given plane H for a specific micro- and macroscopic crystal orientation
- computing the (approximative) energy width for any given plane H for a specific micro- and macroscopic crystal orientation in the two beam approximation
- Selecting the number of reflecting planes in the vicinity of a given photon energy + crystal orientation configuration
- computing reflectivity/transmissivity vs energy for a specified crystal plane H0 can be computed in the two beam approximation
- Rocking curve scans in the two beam approximation
However, further functionality is to follow soon:
- n-beam diffraction
- diffraction at strained crystals
- ...
External packages
- numpy (required)
- xraylib (prospectively optional,currently required)
- matplotlib
- pandas
Usage
There is no documentation for the API yet. However, you can find some tutorial *.ipynb scripts in the playgrounds folder on gitlab.
LICENSE
- Free software: GNU GENERAL PUBLIC LICENSE Version 3
Credits
This package was created with Cookiecutter and the waynerv/cookiecutter-pypackage project template.
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