cclib is an open source library, written in Python, for parsing and interpreting the results of computational chemistry packages.
The goals of cclib are:
* to facilitate the implementation of algorithms that are not specific to a particular computational chemistry package
* to provide a
... [More] simple and standard interface to the results of computational chemistry calculations, particularly those results that are useful for algorithms or visualisation
* to maximise interoperability with other open source computational chemistry and cheminformatic software libraries [Less]
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