Paketti: cclib (1.6-1)

[ Source: cclib  ]

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.

Muut pakettiin cclib liittyvät paketit

• dep: python3

  interactive high-level object-oriented language (default python3 version)

• dep: python3-cclib (= 1.6-1)

  Parsers and algorithms for computational chemistry (Python3 module)

• dep: python3-numpy

  Fast array facility to the Python 3 language

• sug: cclib-data

  Parsers and algorithms for computational chemistry (data files)

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