Metadata-Version: 2.1
Name: qforce
Version: 0.6.8
Summary: Q-Force: Quantum mechanically augmented molecular force fields
Home-page: https://github.com/selimsami/qforce
Author: Selim Sami
Author-email: s.sami@rug.nl
License: UNKNOWN
Keywords: qm forcefield md
Platform: UNKNOWN
Classifier: Development Status :: 4 - Beta
Classifier: Environment :: Console
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: Apache Software License
Classifier: Programming Language :: Python :: 3.7
Classifier: Programming Language :: Python :: 3.8
Classifier: Programming Language :: Python :: 3.9
Classifier: Topic :: Scientific/Engineering :: Chemistry
Description-Content-Type: text/markdown
License-File: LICENCE

<img src="https://i.imgur.com/jZG5MNO.jpg" height="200">

## **Q**uantum Mechanically augmented molecular **force** fields
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![license](https://img.shields.io/github/license/selimsami/qforce)

Please see the [Documentation](https://qforce.readthedocs.io/).



If you use Q-Force, please cite:


[Sami, S.; Menger, M. F. S. J.; Faraji, S.; Broer, R.; Havenith, R. W. A., Q-Force: Quantum Mechanically Augmented Molecular Force Fields. Journal of Chemical Theory and Computation 2021, 17 (8), 4946-4960.](https://pubs.acs.org/doi/10.1021/acs.jctc.1c00195)



