cclib

parsers and algorithms for computational chemistry

Installation

In a virtualenv (see these instructions if you need to create one):

pip3 install cclib

Releases

Version Released Bullseye
Python 3.9
Bookworm
Python 3.11
Files
2.0a1 pre-release 2024-04-30    
1.8.1 2024-03-18    
1.8.1rc2 pre-release 2024-03-12    
1.8 2023-08-25  
1.7.2 2022-07-12  
1.7.1 2021-09-22  
1.7 2021-01-05  
1.6.4 2020-10-21  
1.6.3 2020-06-16  
1.6.2 2019-09-09  
1.6.1 2019-02-14  
1.6 2018-09-04  
1.5.3 2018-04-09  
1.5.2 2017-08-31  
1.5.1 2017-05-15  
1.5.post1 2016-08-25  
1.4.1 2016-08-23  
1.4 2016-04-28  
1.3.2 2016-04-28  
1.3.1 2016-04-28  
1.3 2014-12-01  
1.2 2014-04-30  
1.2b pre-release 2014-03-09  
1.0.1 2011-03-14  
1.0.1b pre-release 2011-03-06    
1.0 2010-03-07  
0.9 2008-07-08    
0.8 2007-10-31  
0.7b pre-release 2007-03-04
0.6.1 2006-11-25  
0.6 2006-10-27  
0.6b pre-release 2006-10-05  
0.5 2006-07-19  
0.5b pre-release 2006-06-15  

Issues with this package?

Page last updated 2025-07-17 22:25:15 UTC