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[ 源代码: cclib-data  ]

软件包:cclib-data(1.1-1) [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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