| Name : python3-cclib
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| Version : 1.7.1
| Vendor : Fedora Project
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| Release : 5.20220618git8e6892a5.fc39
| Date : 2023-07-21 10:22:44
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| Group : Unspecified
| Source RPM : python-cclib-1.7.1-5.20220618git8e6892a5.fc39.src.rpm
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| Size : 2.84 MB
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| Packager : Fedora Project
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| Summary : Parsers for output files of computational chemistry packages
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Description :
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.
The goals of cclib are centered around the reuse of data obtained
from these programs and contained in output files, specifically:
- extract (parse) data from the output files generated by multiple programs
- provide a consistent interface to the results of computational chemistry
calculations, particularly those results that are useful for
algorithms or visualization
- facilitate the implementation of algorithms that are not specific to a
particular computational chemistry package
- to maximize interoperability with other open source computational
chemistry and cheminformatic software libraries.
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RPM found in directory: /vol/rzm3/linux-fedora-buffet/fedora-secondary/releases/39/Everything/s390x/os/Packages/p |
