abipy


Nameabipy JSON
Version 0.9.8 PyPI version JSON
download
home_pagehttps://github.com/abinit/abipy
SummaryPython package to automate ABINIT calculations and analyze the results.
upload_time2024-09-12 21:08:03
maintainerMatteo Giantomassi
docs_urlNone
authorM. Giantomassi and the AbiPy group
requires_pythonNone
licenseGPL
keywords abinit ab-initio density-function-theory first-principles electronic-structure pymatgen
VCS
bugtrack_url
requirements packaging monty tabulate apscheduler pydispatcher tqdm pyyaml ruamel.yaml pandas numpy sympy spglib pymatgen netCDF4 matplotlib seaborn plotly ipython chart-studio click phonopy ase pydantic
Travis-CI
coveralls test coverage
            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>

            

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