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abipy

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Python package to automate ABINIT calculations and analyze the results.

Installation

To install this package, run one of the following:

Conda
$conda install abinit::abipy

Usage Tracking

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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. It also provides tools to generate input files and workflows to automate ab-initio calculations and typical convergence studies. AbiPy is interfaced with Pymatgen and this allows users to benefit from the different tools and python objects available in the pymatgen ecosystem

About

Summary

Python package to automate ABINIT calculations and analyze the results.

Last Updated

Oct 18, 2019 at 18:26

License

GNU General Public License v2 (GPLv2)

Total Downloads

3.3K

Supported Platforms

linux-64
macOS-64