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cclib

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Parsers and algorithms for computational chemistry logfiles

Installation

To install this package, run one of the following:

Conda
$conda install conda-forge::cclib

Usage Tracking

1.8.1
1.8
1.7.2
1.7.1
1.7
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Downloads (Last 6 months): 0

Description

cclib is a Python library that provides parsers for output files of computational chemistry packages. It also provides a platform for computational chemists to implement algorithms in a platform-independent way.

About

Summary

Parsers and algorithms for computational chemistry logfiles

Last Updated

Mar 20, 2024 at 02:39

License

BSD-3-Clause

Total Downloads

86.7K

Supported Platforms

noarch