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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.

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 the list of plotting scripts available in our :doc:`gallery </examples/index>`.
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 <>

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