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psi4/qcengine

qcengine

Community

A wrapper for Quantum Chemistry engines that adheres to the MolSSI (molssi.org) QCSchema.

Copied fromconda-forge / qcengine

Installation

To install this package, run one of the following:

Conda
$conda install psi4::qcengine

Usage Tracking

0.29.0
0.28.1
0.27.0
0.26.0
0.25.0
5 / 8 versions selected
Total downloads: 0

About

Summary

A wrapper for Quantum Chemistry engines that adheres to the MolSSI (molssi.org) QCSchema.

Information Last Updated

Mar 25, 2025 at 16:23

License

BSD-3-Clause

Total Downloads

147.7K

Platforms

noarch Version: 0.29.0

Home

http://github.com/MolSSI/QCEngine

GitHub Repository

http://github.com/MolSSI/QCEngine

Documentation

https://molssi.github.io/QCEngine/