Parsers for output files of computational chemistry packages
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. The goals of cclib are centered around the reuse of data obtained from these programs and contained in output files, specifically: - extract (parse) data from the output files generated by multiple programs - provide a consistent interface to the results of computational chemistry calculations, particularly those results that are useful for algorithms or visualization - facilitate the implementation of algorithms that are not specific to a particular computational chemistry package - to maximize interoperability with other open source computational chemistry and cheminformatic software libraries.
Release | Stable | Testing |
---|---|---|
Fedora Rawhide | 1.7.1-7.20220618git8e6892a5.fc40 | - |
Fedora 40 | 1.7.1-7.20220618git8e6892a5.fc40 | - |
Fedora 39 | 1.7.1-5.20220618git8e6892a5.fc39 | - |
Fedora 38 | 1.7.1-3.20220618git8e6892a5.fc38 | - |
You can contact the maintainers of this package via email at
python-cclib dash maintainers at fedoraproject dot org
.