cclib

cclib: parsers and algorithms for computational chemistry

Development Status
- 5 - Production/Stable
Environment
- Console
Intended Audience
- Developers
- Science/Research
License
- OSI Approved :: BSD License
Natural Language
- English
Operating System
- OS Independent
Programming Language
- Python
Topic
- Scientific/Engineering :: Chemistry
- Software Development :: Libraries :: Python Modules

Project description

cclib is a Python library that provides parsers for computational chemistry log files. It also provides a platform to implement algorithms in a package-independent manner.

Project details

Development Status
- 5 - Production/Stable
Environment
- Console
Intended Audience
- Developers
- Science/Research
License
- OSI Approved :: BSD License
Natural Language
- English
Operating System
- OS Independent
Programming Language
- Python
Topic
- Scientific/Engineering :: Chemistry
- Software Development :: Libraries :: Python Modules

Release history Release notifications | RSS feed

This version

1.8

Aug 25, 2023

1.7.2

Jul 12, 2022

1.7.1

Sep 22, 2021

1.7

Jan 5, 2021

1.6.4

Oct 21, 2020

1.6.3

Jun 16, 2020

1.6.2

Sep 9, 2019

1.6.1

Feb 14, 2019

1.6

Sep 4, 2018

1.5.3

Apr 9, 2018

1.5.2

Aug 31, 2017

1.5.1

May 15, 2017

1.5.post1

Aug 25, 2016

1.5

Aug 25, 2016

1.4.1

Aug 23, 2016

1.4

Apr 28, 2016

1.3.2

Apr 28, 2016

1.3.1

Apr 28, 2016

1.3

Dec 1, 2014

1.2

Apr 30, 2014

1.2b pre-release

Mar 9, 2014

1.0.1

Mar 14, 2011

1.0.1b pre-release

Mar 6, 2011

1.0

Mar 7, 2010

1.0a pre-release

Feb 23, 2010

0.9

Jul 8, 2008

0.8

Oct 31, 2007

0.7

Mar 21, 2007

0.7b pre-release

Mar 4, 2007

0.6.1

Nov 25, 2006

0.6

Oct 27, 2006

0.6b pre-release

Oct 5, 2006

0.5

Jul 19, 2006

0.5b pre-release

Jun 14, 2006

Download files

Download the file for your platform. If you're not sure which to choose, learn more about installing packages.

Source Distribution

cclib-1.8.tar.gz (310.8 kB view hashes)

Uploaded Aug 25, 2023 source

Built Distribution

cclib-1.8-py3-none-any.whl (346.1 kB view hashes)

Uploaded Aug 25, 2023 py3

Hashes for cclib-1.8.tar.gz

Hashes for cclib-1.8.tar.gz
Algorithm	Hash digest
SHA256	`12b7a7ed8191f02fa12320dbdc830546ee1615e8b4737e3d766f34622abbd521`
MD5	`3c0ff1a6a993d6e42a5a393817c0220f`
BLAKE2b-256	`0c508ac9bd949c836a328aaa9d4712ffb5b253a5c4ae2d8c5dcc463245299f57`

Hashes for cclib-1.8-py3-none-any.whl

Hashes for cclib-1.8-py3-none-any.whl
Algorithm	Hash digest
SHA256	`28662da1bbbe80cf550cef73cfab4ec0f752cc2f9077ee1753efb3083ca1ba5a`
MD5	`6954c0c17536491ad116872bcc188138`
BLAKE2b-256	`5f4c25957d7193b96c27574a970a8db86ebfa745587c641c35fdd5bc63462ec3`