This is probably my last release of a stable version. I am leaving the university and starting in the industry in September. Therefore, I won’t probably have much time for this program in the future. Anyway, I tried to fix all the bugs I could find. Moreover, the Newton-Raphson/conjugate gradients solver is working again. I […]
Again, some changes were done to the code of the 0.2.2 release of pyOZ. The Newton-Raphson/conjugate gradients solver is still disabled in this version. Some minor bugs were fixed. The program is now capable of writing out the partial structure factors for the system. The respective parts of the website (documentation, features) were changed accordingly. […]
Some changes had to be done to the code of the 0.2.1 release of pyOZ, among others to the Newton-Raphson/conjugate gradients solver which still doesn’t work as it should and was thus disabled in this version. Some minor bugs were fixed as well. The handling of Python exceptions is consistent with the new versions of […]
First update (bugfixes and additions to the electrolyte database) of the conversion utility prop_conv (conversion of concentrations, densities and osmotic coefficients of electrolytes) is now available here for download. Please report all bugs you find and check the results you get…
The conversion utility prop_conv (conversion of concentrations, densities and osmotic coefficients of electrolytes) is now available here for download. Similarly to pyOZ, it is written in Python programming language and released under the BSD license. Check it out, I hope it will be useful…
A bug was found in the code of the 0.2 release of pyOZ, causing very slow convergence of the Newton-Raphson/conjugate gradients solver. The results are not affected, but the number of iteration cycles is too large. The version 0.2.1 of pyOZ fixes this problem. You can get the new version (diff or archive with changed […]
A new version of pyOZ (0.2) has just been released. It includes one main new features (Newton-Raphson based iterative solver for the HNC closure) and bugfixes. The code is available for download on this page or directly here. Please read the release notes for more information. The Features page has been updated in order to […]
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.
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 […]
Downloads page has been created. It is available through the sidebar menu, or directly through this link. At the moment, no versions of pyOZ are available for download.