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

A step in SEAMM for calculating diffusion coefficients from molecular dynamics
https://github.com/molssi-seamm/diffusivity_step

Last synced: about 1 month ago
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A step in SEAMM for calculating diffusion coefficients from molecular dynamics

• Host: GitHub
• URL: https://github.com/molssi-seamm/diffusivity_step
• Owner: molssi-seamm
• License: bsd-3-clause
• Created: 2023-08-30T17:35:16.000Z (over 1 year ago)
• Default Branch: main
• Last Pushed: 2024-07-30T20:04:32.000Z (5 months ago)
• Last Synced: 2024-10-02T06:22:31.343Z (3 months ago)
• Language: Python
• Size: 1.83 MB
• Stars: 0
• Watchers: 1
• Forks: 0
• Open Issues: 0
• Metadata Files:
  • Readme: README.rst
  • Changelog: HISTORY.rst
  • Contributing: CONTRIBUTING.rst
  • License: LICENSE
  • Authors: AUTHORS.rst

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README

        
=========================

SEAMM Diffusivity Plug-in

=========================

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A SEAMM plug-in for Diffusivity

* Free software: BSD-3-Clause

* Documentation: https://molssi-seamm.github.io/diffusivity_step/index.html

* Code: https://github.com/molssi-seamm/diffusivity_step

Features

--------

* Please edit this section!

Acknowledgements

----------------

This package was created with the `molssi-seamm/cookiecutter-seamm-plugin`_ tool, which

is based on the excellent Cookiecutter_.

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

.. _`molssi-seamm/cookiecutter-seamm-plugin`: https://github.com/molssi-seamm/cookiecutter-seamm-plugin

Developed by the Molecular Sciences Software Institute (MolSSI_),

which receives funding from the `National Science Foundation`_ under

award CHE-2136142.

.. _MolSSI: https://molssi.org

.. _`National Science Foundation`: https://www.nsf.gov