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[ Source: cclib-data  ]

Package: cclib-data (1.0.1-3) [non-free]

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Parsers and algorithms for computational chemistry (data files)

A Python library that provides parsers for computational chemistry log files. It also provides a platform to implement algorithms in a package-independent manner.

This package contains unittests and example log files that could not be included in the main cclib package.

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all 5,224.5 kB32,359.0 kB [list of files]