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abipy

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Open-source library for analyzing the results produced by ABINIT

Installation

To install this package, run one of the following:

Conda
$conda install conda-forge::abipy

Usage Tracking

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Downloads (Last 6 months): 0

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

Open-source library for analyzing the results produced by ABINIT

Last Updated

Sep 13, 2024 at 05:26

License

GPL-2.0-only

Total Downloads

33.9K

Supported Platforms

noarch