Skip to content
/ cclib Public
forked from cclib/cclib

Parsers and algorithms for computational chemistry logfiles

License

Notifications You must be signed in to change notification settings

gfrlv/cclib

 
 

Repository files navigation

cclib

DOI PyPI version GitHub release build status license

cclib logo

cclib 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.

For more information, go to http://cclib.github.io. There is a mailing list for questions at [email protected].

About

Parsers and algorithms for computational chemistry logfiles

Resources

License

Stars

Watchers

Forks

Packages

No packages published

Languages

  • Python 93.5%
  • TeX 2.7%
  • DIGITAL Command Language 2.0%
  • Arc 1.7%
  • Shell 0.1%