About cclib
IMPORTANT! As of version 1.2, cclib development has moved to github. Please use the flowing pages for up-to-date information about cclib: Repository (source code, tracker) - Online documentation - cclib is an open source...
IMPORTANT! As of version 1.2, cclib development has moved to github. Please use the flowing pages for up-to-date information about cclib:
Repository (source code, tracker) -
Online documentation -
cclib is an open source library, written in Python, for parsing and interpreting the results of computational chemistry packages. It currently parses output files from ADF, Firefly, GAMESS, GAMESS-UK, Gaussian, Jaguar and ORCA.
Features
- Parses data from computational chemistry output files
- Supports output from Gaussian, GAMESS and other popular packages
- Extracts energies, orbital data, vibrational information and much more
Previous Versions
Here you can find the changelog of cclib since it was posted on our website on 2015-04-25 03:00:00.
The latest version is 1.3 and it was updated on 2024-04-22 15:59:46. See below the changes in each version.
cclib version 1.3
Updated At: 2014-11-29
cclib version cclib-1.0.1
Updated At: 2011-03-14
Changes: Several fixes and updates
Disclaimer
External Download
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