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Python package to automate ABINIT calculations and analyze the results.

Project description

AbiPy is a Python library to analyze the results produced by ABINIT, an open-source program for the ab-initio calculations of the physical properties of materials within Density Functional Theory and Many-Body perturbation theory. AbiPy also provides tools to generate input files and workflows to automate ab-initio calculations and typical convergence studies. AbiPy is interfaced with Pymatgen allowing users to benefit from the different tools and python objects available in the pymatgen ecosystem. The official documentation is hosted on github pages. AbiPy can be used in conjunction with matplotlib, pandas, ipython and jupyter thus providing a powerful and user-friendly environment for data analysis and visualization. Check out our gallery of plotting scripts and the gallery of AbiPy workflows. To learn more about the integration between jupyter and AbiPy, visit our collection of notebooks and the AbiPy lessons. The latest development version is always available from <https://github.com/abinit/abipy>

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