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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 <http://www.abinit.org>`_,
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 <http://www.pymatgen.org>`_ allowing users to
benefit from the different tools and python objects available in the pymatgen ecosystem.

AbiPy can be used in conjunction with `matplotlib <http://matplotlib.org>`_, `pandas <http://pandas.pydata.org>`_,
`ipython <https://ipython.org/index.html>`_ and `jupyter <http://jupyter.org/>`_
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
<http://nbviewer.ipython.org/github/abinit/abipy/blob/master/abipy/examples/notebooks/index.ipynb>`_
and the `AbiPy lessons <http://nbviewer.ipython.org/github/abinit/abipy/blob/master/abipy/examples/notebooks/lessons/index.ipynb>`_.

The latest development version is always available from <https://github.com/abinit/abipy>


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abipy-0.3.0-py2.py3-none-any.whl (23.6 MB) Copy SHA256 hash SHA256 Wheel py2.py3 Feb 22, 2018

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