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… iterative Ornstein-Zernike equation solver in Python

Welcome to the homepage of the pyOZ project. pyOZ is iterative solver of the Ornstein-Zernike equation written in Python and based on the SciPy/NumPy bundle for scientific computing.

The program is at the moment developed only by Luboš Vrbka and is intended to be released as an open-source product. Many people contributed to my understanding of the topic - a small acknowledgement is located here. Do you want to cite the program? Use this citation.

It is currently in a beta stage, with version 0.1beta available for download. If you are interested in this program, have some question, want to report a bug, or anything else (related to pyOZ), please let me know through pyoz@vrbka.net.

This page is under construction so please expect some major updates and shuffling in the near future. Ideally, all documentation should be available here, together with the discussion of the algorithm and of the method itself as well. Check the News for up-to-date information.

For news and update information, check the News.
Program features are summarized in the Features section.
Theoretical background (Ornstein-Zernike equation, interaction potentials, …) and the description of the employed solution method is summarized in the Theory section.
Program manual (installation, usage) is available in the Documentation.
You can get pyOZ in Downloads.

If you search for some specific information, please use the search field in the sidebar (fulltext search). Posts related to one of the basic topics (general information, features, documentation, theory, download) can be retrieved through the respective category.