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New version to be released soon


It is time for a new release. It will include several optimizations to the code and to the outputs, but also a new iterative algorithm, based on the combination of Newton-Raphson and conjugate gradients methods.

The code is being tested right now. It will be released as soon as the tests are done and the website (theory, documentation) is changed to provide up-to-date information.

Stay tuned…

Documentation: release update


Docs had to be heavily updated in order to reflect all the changes to the code between the betas and the final release. The following sections have been changed:

Features: release update


This section was updated to reflect the latest changes and the release of the stable version. Use this link or the navigation bar to access the Features page.

Downloads: first final release available


After much longer time than expected, I am releasing the first final version of pyOZ (0.1). It includes many new features (evaluation of thermodynamic properties) and bugfixes. The code is available for download on this page or directly here. Please read the release notes for more information. Please note also, that pyOZ is now released under the BSD license.

Some slight modifications were also done to the theory part of this site (discussion of Kirkwood-Buff factors). Some more updates can be expected in the next few days – documentation has to be updated to reflect the recent changes.

Theory: thermodynamic properties


Preparing for the release of new version if pyOZ, the discussion of isothermal compressibilities and excess chemical potentials has been added to the theoretical section of this page.

Evaluation of these two properties is now implemented in pyOZ and is currently undergoing thorough testing. As soon as it is done, the new version will be released (together with more updates to pyOZ home – features, documentation).

Various: site update


The site has been updated to reflect the changes to the code and the release of the next beta version. The following sections were changed:

If you find any mistakes/errors/omissions, just let me know…

Downloads: version 0.1beta2 available


New version of pyOZ has just been released. It is still beta, but thoroughly tested, so it should be OK. New potential was added (charge-induced dipole) and many optimizations were done to the code. For the full list, please consult the release notes.



WordPress installation updated. I am preparing new release of pyOZ with many fixes and optimizations. Stay tuned for updates, it won’t hopefully take long time…

Downloads: first public release of pyOZ


Today, first public version of pyOZ (0.1beta) was released. As the name suggests, it is still beta (it is wise to expect major code changes before the first stable version is released), but it should work correctly. Some test/benchmark inputs were added as well.

You can download it on the Downloads page accessible from the sidebar, or directly here (program package, release notes).

The website has been updated on several places in order to reflect recent changes to the code, input/output formatting, and the release itself.

Documentation: input file documentation updated


Due to changes in the pyOZ code, the format of the input file had to be slightly changed. The whole documentation was updated to reflect all the changes. There are also some changes in the command line parameters.