Metadata-Version: 2.1
Name: abipy
Version: 0.9.8
Summary: Python package to automate ABINIT calculations and analyze the results.
Home-page: https://github.com/abinit/abipy
Download-URL: https://github.com/abinit/abipy
Author: M. Giantomassi and the AbiPy group
Author-email: matteo.giantomassi@uclouvain.be
Maintainer: Matteo Giantomassi
Maintainer-email: matteo.giantomassi@uclouvain.be
License: GPL
Keywords: ABINIT,ab-initio,density-function-theory,first-principles,electronic-structure,pymatgen
Platform: Linux
Platform: darwin
Classifier: Programming Language :: Python :: 3.8
Classifier: Programming Language :: Python :: 3.9
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3.11
Classifier: Programming Language :: Python :: 3.12
Classifier: Development Status :: 4 - Beta
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: GNU General Public License v2 (GPLv2)
Classifier: Operating System :: OS Independent
Classifier: Topic :: Scientific/Engineering :: Information Analysis
Classifier: Topic :: Scientific/Engineering :: Physics
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Topic :: Software Development :: Libraries :: Python Modules
Description-Content-Type: text/x-rst
License-File: LICENSE
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Requires-Dist: tqdm
Requires-Dist: pyyaml >=3.11
Requires-Dist: pandas
Requires-Dist: numpy <2.0.0
Requires-Dist: scipy
Requires-Dist: spglib
Requires-Dist: pymatgen >=2022.0.14
Requires-Dist: netCDF4
Requires-Dist: matplotlib
Requires-Dist: seaborn
Requires-Dist: plotly
Requires-Dist: ipython
Requires-Dist: chart-studio
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Requires-Dist: ase

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.
The official documentation is hosted on `github pages <http://abinit.github.io/abipy>`_.
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 our `gallery of plotting scripts <http://abinit.github.io/abipy/gallery/index.html>`_
and the `gallery of AbiPy workflows <http://abinit.github.io/abipy/flow_gallery/index.html>`_.
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>