qcelemental
QCElemental is a resource module for quantum chemistry containing physical constants and periodic table data from NIST and molecule handlers.
Installation
To install this package, run one of the following:
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About
Summary
QCElemental is a resource module for quantum chemistry containing physical constants and periodic table data from NIST and molecule handlers.
Last Updated
Nov 2, 2023 at 20:28
License
BSD-3-Clause
Total Downloads
190.6K
Supported Platforms
noarch
Unsupported Platforms
linux-64 Last supported version: 0.1.3
macOS-64 Last supported version: 0.1.3
GitHub Repository
https://github.com/MolSSI/QCElementalDocumentation
https://molssi.github.io/QCElemental/