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Parsers and algorithms for computational chemistry logfiles

Home Page: https://cclib.github.io/

License: BSD 3-Clause "New" or "Revised" License

Shell 0.07% Python 78.55% DIGITAL Command Language 1.56% Arc 0.82% TeX 1.31% C++ 0.94% Roff 16.75%

cclib's Introduction

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

cclib's People

Contributors

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