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Logo pycalphad: Computational Thermodynamics

Al-Ni Phase Diagram (Dupin et al., 2001)

pycalphad is a Python library for computational thermodynamics using the CALPHAD method. Because pycalphad is still in the alpha phase of development, documentation is a work in progress.

The latest development version of the source code can be found on GitHub. The newest stable version can be found on PyPI.

.. toctree::
   :maxdepth: 2

   INSTALLING
   examples/index
   faq
   api/modules
   CHANGES

Getting Help

Questions about installing and using pycalphad can be addressed in the pycalphad Google Group. Technical issues and bugs should be reported on on GitHub. A public chat channel is available on Gitter.

Citing

If you use pycalphad in your research, please consider citing the following work:

Otis, R. & Liu, Z.-K., (2017). pycalphad: CALPHAD-based Computational Thermodynamics in Python. Journal of Open Research Software. 5(1), p.1. DOI: http://doi.org/10.5334/jors.140

Acknowledgements

Development has been made possible in part through NASA Space Technology Research Fellowship (NSTRF) grant NNX14AL43H, and is supervised by Prof. Zi-Kui Liu in the Department of Materials Science and Engineering at the Pennsylvania State University.

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