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cclib/H08-Sep-2021-27,09516,185

data/H08-Sep-2021-1,480,5591,293,196

doc/H08-Sep-2021-3,3012,166

test/H08-Sep-2021-704,736700,843

.editorconfigH A D08-Sep-2021248 1410

.gitignoreH A D08-Sep-2021123 1514

.readthedocs.ymlH A D08-Sep-2021531 2419

ANNOUNCEH A D08-Sep-20212.3 KiB4429

CHANGELOGH A D08-Sep-202123.5 KiB535453

INSTALLH A D08-Sep-20213.2 KiB7448

LICENSEH A D08-Sep-20211.5 KiB3023

README.mdH A D08-Sep-20211.1 KiB149

THANKSH A D08-Sep-20212.2 KiB6864

manifest.pyH A D08-Sep-2021750 2914

setup.pyH A D08-Sep-20212 KiB6949

README.md

1### cclib
2
3[![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.4420433.svg)](https://doi.org/10.5281/zenodo.4420433)
4[![PyPI version](http://img.shields.io/pypi/v/cclib.svg?style=flat)](https://pypi.python.org/pypi/cclib)
5[![GitHub release](https://img.shields.io/github/release/cclib/cclib.svg?style=flat)](https://github.com/cclib/cclib/releases)
6[![build status](https://github.com/cclib/cclib/actions/workflows/cclib_pytest.yml/badge.svg?branch=master)](https://github.com/cclib/cclib/actions/workflows/cclib_pytest.yml)
7[![license](http://img.shields.io/badge/license-BSD-blue.svg?style=flat)](https://github.com/cclib/cclib/blob/master/LICENSE)
8
9<img src="./logo.png" alt="cclib logo" width="100" />
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11cclib 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.
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13For more information, go to [https://cclib.github.io](https://cclib.github.io). There is a mailing list for questions at cclib-users@lists.sourceforge.net.
14