Python package to automate ABINIT calculations and analyze the results.
Project description
AbiPy is a Python library to analyze the results produced by `ABINIT <https://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>
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>
Project details
Release history Release notifications | RSS feed
Download files
Download the file for your platform. If you're not sure which to choose, learn more about installing packages.
Source Distribution
abipy-0.5.0.tar.gz
(20.0 MB
view hashes)
Built Distribution
abipy-0.5.0-py2.py3-none-any.whl
(14.7 MB
view hashes)
Close
Hashes for abipy-0.5.0-py2.py3-none-any.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | a3e8f7b163feeb10466d966d0f80cc8e20df2a3c2655cf682e413f32c7e9666c |
|
MD5 | ce9235106780b84746cc542b50cad789 |
|
BLAKE2b-256 | 36af649c18c323504e445d22419fa6fcbf7f21a74f21b875340e7b0a5fe18303 |