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OC is an initiative to create an open souce thermodynamic software for applications in materials science. It aims to provide facilities for multicomponent equilibrium calculations using the Compound Energy Formalism (CEF) and other models both for interactive calculations and in application software.
Computational Thermodynamcs (CT) is an important link between more basic materials science like Density Functional Theory (DFT) and simulations of phase transformations like Phase Field (PF) providing information of the set of stable phases, chemical potentials, heat capacities etc.
The work has started and as I plan to finally revise the datastructure I will also have a version 3 with bugfixes.
The work on OC version 3 was finished in January 2016. It includes an isoC binding for use together with C++ application software. Multicomponent equilibria now works well for many different kinds of conditions and I have added a facility to assess model parameters using experimental data. It is also possible to calculate equilibria in parallel using OpenMP.
The second version was released in February 2015 and it included the ionic two-sublattice liquid model and also facilties to calculate and plot (using GNUPLOT) property and some simple phase diagrams. Currently only binary phase diagrams work reasonably and it is fragile.
Contributions are welcome as well as feedback with problems using the current versions.