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

SEAMM step for calculating thermal conductivity
https://github.com/molssi-seamm/thermal_conductivity

lammps seamm thermal-conductivity

Last synced: about 1 month ago
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SEAMM step for calculating thermal conductivity

• Host: GitHub
• URL: https://github.com/molssi-seamm/thermal_conductivity
• Owner: molssi-seamm
• License: bsd-3-clause
• Created: 2023-04-24T17:43:58.000Z (over 1 year ago)
• Default Branch: main
• Last Pushed: 2024-06-03T16:43:28.000Z (7 months ago)
• Last Synced: 2024-06-04T01:36:47.322Z (7 months ago)
• Topics: lammps, seamm, thermal-conductivity
• Language: Python
• Homepage: https://molssi-seamm.github.io/thermal_conductivity_step/index.html
• Size: 1.84 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 Thermal Conductivity Plug-in

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

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   :target: https://github.com/molssi-seamm/thermal_conductivity_step/pulls

   :alt: GitHub pull requests

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   :target: https://github.com/molssi-seamm/thermal_conductivity_step/actions

   :alt: Build Status

.. image:: https://codecov.io/gh/molssi-seamm/thermal_conductivity_step/branch/master/graph/badge.svg

   :target: https://codecov.io/gh/molssi-seamm/thermal_conductivity_step

   :alt: Code Coverage

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   :target: https://github.com/molssi-seamm/thermal_conductivity_step/security/code-scanning

   :alt: Code Quality

.. image:: https://github.com/molssi-seamm/thermal_conductivity_step/workflows/Release/badge.svg

   :target: https://molssi-seamm.github.io/thermal_conductivity_step/index.html

   :alt: Documentation Status

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

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

   :alt: PyPi VERSION

A SEAMM plug-in for Thermal Conductivity

* Free software: BSD-3-Clause

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

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