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cclib

parsers and algorithms for computational chemistry

  • 1.8.1
  • PyPI
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Maintainers
5

cclib

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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 https://cclib.github.io. There is a mailing list for questions at https://groups.google.com/g/cclib.

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