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) - https://github.com/cclib/cclib
Online documentation - http://cclib.github.io/

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

Project Activity

See All Activity >

Categories

Chemistry

License

GNU Library or Lesser General Public License version 2.0 (LGPLv2)

Follow cclib

cclib Web Site

Other Useful Business Software
Optimize your workforce. Icon
Optimize your workforce.

Avilar serves clients in the private, government and non-profit sectors, with 50 to 250,00 learners and administrative users.

To win in today’s business environment, you need the right people, with the right skills, in the right jobs, at the right time. Avilar, the Competency Company, helps astute organizations optimize their workforce for success. Avilar’s competency and eLearning tools provide flexible workforce analytics solutions that work.
Rate This Project
Login To Rate This Project

User Ratings

★★★★★
★★★★
★★★
★★
2
0
0
0
0
ease 1 of 5 2 of 5 3 of 5 4 of 5 5 of 5 0 / 5
features 1 of 5 2 of 5 3 of 5 4 of 5 5 of 5 0 / 5
design 1 of 5 2 of 5 3 of 5 4 of 5 5 of 5 0 / 5
support 1 of 5 2 of 5 3 of 5 4 of 5 5 of 5 0 / 5

User Reviews

  • Used this as part of my atomic global minimum locator project. At first, I tried Openbabel without much luck. Then I found cclib, which was so much easier!
  • Very nice, very useful.
Read more reviews >

Additional Project Details

Intended Audience

Science/Research, Advanced End Users, Developers

Programming Language

Python

Related Categories

Python Chemistry Software

Registered

2006-03-01