https://github.com/lab-cosmo/atomistic-cookbook

The COSMO cookbook contains recipes for atomic-scale modelling for materials and molecules
https://github.com/lab-cosmo/atomistic-cookbook

Last synced: 2 months ago
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The COSMO cookbook contains recipes for atomic-scale modelling for materials and molecules

• Host: GitHub
• URL: https://github.com/lab-cosmo/atomistic-cookbook
• Owner: lab-cosmo
• License: bsd-3-clause
• Created: 2023-05-23T10:33:47.000Z (over 1 year ago)
• Default Branch: main
• Last Pushed: 2024-08-13T16:37:51.000Z (6 months ago)
• Last Synced: 2024-08-13T17:14:08.233Z (6 months ago)
• Language: Python
• Homepage: https://lab-cosmo.github.io/atomistic-cookbook
• Size: 54.1 MB
• Stars: 11
• Watchers: 16
• Forks: 1
• Open Issues: 4
• Metadata Files:
  • Readme: README.rst
  • Contributing: CONTRIBUTING.rst
  • License: LICENSE

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README

        
The Atomistic Cookbook

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

.. image:: ./docs/src/_static/cookbook-icon.svg

   :alt: A cookbook with a cover showing a water molecule and mathematical symbols

   :align: center

   :width: 50%

This repository contains the source code for the Atomistic Cookbook,

a collection of software recipes to perform computer simulations of

matter at the atomic scale. The content of the cookbook

is automatically compiled and deployed as a GitHub pages site,

accessible at https://atomistic-cookbook.org

You usually don't need to clone the whole repository if you want to try

a recipe: the files needed to execute one, as well as the environment

description, can be downloaded from the corresponding page.

You should get the entire repository if you want to build all recipes

locally, or if you want to use it as a template for your own cookbook.

Contributing

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

If you want contribute an example, recipe or tutorial that combines multiple software

tools together, check out the `contributing guidelines `_ first.