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[ Source: cclib  ]

Package: cclib (1.0.1-2)

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Parsers and algorithms for computational chemistry

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 helper scripts for end users.

If you are looking for the unit tests and data files managed by cclib, they are distributed separately as in non-free package cclib-data.

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all 9.8 kB53.0 kB [list of files]