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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 program is at the moment developed by Luboš Vrbka. However, due to time constraints, the development has more or less stopped. 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. In case you are using pyOZ, please let me know.

The latest version available for download is 0.3, released on 11. August 2009. 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.

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.