| Name : python3-cclib
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| Version : 1.7.1
| Vendor : Fedora Project
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| Release : 3.20220618git8e6892a5.fc38
| Date : 2023-01-20 13:07:36
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| Group : Unspecified
| Source RPM : python-cclib-1.7.1-3.20220618git8e6892a5.fc38.src.rpm
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| Size : 3.15 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: /packages/linux-pbone/archive.fedoraproject.org/fedora/linux/releases/38/Everything/x86_64/os/Packages/p |
