Welcome to the documentation page

If python 3 is installed, type in console (or terminal):

  • to install CrysPy:
python -m pip install cryspy cryspy_editor

# additional libraries
python -m pip install pyqt5 scipy matplotlib numpy
  • to run it:
python -m cryspy_editor
  • to upgrade:
python -m pip install --upgrade cryspy cryspy_editor pycifstar --user

Current versions of the CrysPy library is 0.5.8, and the CrysPy Editor is 1.5.7. See CrysPy examples on GitHub.

CrysPy is a crystallographic library for neutron data analysis. It allows to refine polarized neutron diffraction experiments performed with single crystals as well as with powder magnetic compounds. The program has been mainly developed for Rietveld analysis of polarized neutron powder diffraction data. The program can be also used as a MEM tool to reconstruct magnetization (or spin) density. Time-of-flight (TOF) neutron data analysis is also available.

Features

  • Analysis of the polarized neutron scattering on crystals by the library CrysPy;
  • Diffraction data refinement for single crystals or powder by RhoChi;
  • MEM for reconstruction of magnetization density;
  • Powder refinement of magnetic space groups (under development).
  • TOF neutron data analysis (under development)

Technical support

The author may provide technical support to the users of the program. If you have any questions regarding the use of CrysPy library or “CrysPy Editor”, troubles with its installation or running the program try the following steps:

  • Read the relevant manual sections, paying particular attention to examples files (under development).
  • Send an email to iurii.kibalin@cea.fr or call by Zoom (the same email address).

A reference to the software use the following DOI: 10.5281/zenodo.4271777

Collaboration

Any third-party scripts based on the library CrysPy can be added.

If you have any suggestions, bug reports or annoyances please report them to our issue tracker on GitHub.