https://bugzilla.redhat.com/show_bug.cgi?id=1733686
Bug ID: 1733686
Summary: Review Request: python-qcelemental - Periodic table,
physical constants, and molecule parsing for quantum
chemistry
Product: Fedora
Version: rawhide
Hardware: All
OS: Linux
Status: NEW
Component: Package Review
Severity: medium
Priority: medium
Assignee: [email protected]
Reporter: [email protected]
QA Contact: [email protected]
CC: [email protected]
Target Milestone: ---
Classification: Fedora
Spec URL: https://jussilehtola.fedorapeople.org/python-qcelemental.spec
SRPM URL:
https://jussilehtola.fedorapeople.org/python-qcelemental-0.5.0-1.fc30.src.rpm
Fedora Account System Username: jussilehtola
Description:
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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