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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, released under the BSD license.

The development of this project stopped. Feel free to take it over. I am going to keep this website online for reference purposes but do not expect any updates, bugfixes, or improvements.

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.

The latest version available for download is 0.3, released on 11. August 2009. In case of questions, you can contact me via e-mail under

The page hosts also my utility prop_conv (current version 0.2.1, released on 16. July 2009) allowing for conversion of concentrations, densities and osmotic coefficients of electrolyte solutions. It is written in Python and released under the BSD license.

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 and prop_conv 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.