Fedora Packages

python3-qcelemental Subpackage of python-qcelemental

Periodic table, physical constants, and molecule parsing for quantum chemistry

QCElemental is a resource module for quantum chemistry containing physical constants and periodic table data from NIST and molecule handlers. Periodic Table and Physical Constants data are pulled from NIST srd144 and srd121, respectively (details) in a renewable manner (class around NIST-published JSON file). This project also contains a generator, validator, and translator for Molecule QCSchema.

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Release Stable Testing
Fedora Rawhide 0.25.0-3.fc39 -
Fedora 38 0.25.0-4.fc38 -
Fedora 37 0.25.0-3.fc37 -
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Package Info

You can contact the maintainers of this package via email at python-qcelemental dash maintainers at fedoraproject dot org.

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