https://github.com/molssi-seamm/opls

The OPLS forcefield
https://github.com/molssi-seamm/opls

Last synced: about 23 hours ago
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The OPLS forcefield

• Host: GitHub
• URL: https://github.com/molssi-seamm/opls
• Owner: molssi-seamm
• License: bsd-3-clause
• Created: 2019-06-24T19:34:48.000Z (over 5 years ago)
• Default Branch: master
• Last Pushed: 2022-12-26T20:31:19.000Z (about 2 years ago)
• Last Synced: 2024-11-17T17:32:12.101Z (about 2 months ago)
• Language: Python
• Size: 26.4 KB
• Stars: 1
• Watchers: 1
• Forks: 0
• Open Issues: 4
• Metadata Files:
  • Readme: README.rst
  • Changelog: HISTORY.rst
  • Contributing: CONTRIBUTING.rst
  • License: LICENSE

Awesome Lists containing this project

README

        
====

OPLS

====

.. image:: https://img.shields.io/pypi/v/opls.svg

        :target: https://pypi.python.org/pypi/opls

.. image:: https://img.shields.io/travis/paulsaxe/opls.svg

        :target: https://travis-ci.org/paulsaxe/opls

.. image:: https://readthedocs.org/projects/opls/badge/?version=latest

        :target: https://opls.readthedocs.io/en/latest/?badge=latest

        :alt: Documentation Status

.. image:: https://pyup.io/repos/github/paulsaxe/opls/shield.svg

     :target: https://pyup.io/repos/github/paulsaxe/opls/

     :alt: Updates

OPLS handles the Optimized Potentials for Liquid Simulations of Jorgensen

* Free software: BSD license

* Documentation: https://opls.readthedocs.io.

Features

--------

* TODO

Credits

---------

This package was created with Cookiecutter_ and the `audreyr/cookiecutter-pypackage`_ project template.

.. _Cookiecutter: https://github.com/audreyr/cookiecutter

.. _`audreyr/cookiecutter-pypackage`: https://github.com/audreyr/cookiecutter-pypackage