Baderkit | Anaconda.org

conda-forge / packages / baderkit 0.5.4

0

A python implementation of Bader's Quantum Theory of Atoms in Molecules

copied from cf-post-staging / baderkit

License: BSD-3-Clause
Home: https://github.com/SWeav02/baderkit
Documentation: https://sweav02.github.io/baderkit/
678 total downloads
Last upload: 2 days and 23 hours ago

Installers

noarch v0.5.4

conda install

To install this package run one of the following:
conda install conda-forge::baderkit

Description

This module is a python reimplementaion of the Henkelman Group's Bader code built on numba, numpy, and pymatgen.

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