Source code for 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: 30%

This repository contains the source code for a collection of software recipes, that combine a multitude of libraries and modeling tools to perform computer simulations of matter at the atomic scale. It also contains the infrastructure to automatically compile and deploy the recipes as a GitHub pages site, accessible at atomistic-cookbook.org <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 <CONTRIBUTING.rst>_ first.

This project is maintained <https://github.com/lab-cosmo/.github/blob/main/Maintainers.md>_ by @pfebrer <https://github.com/pfebrer>_ and @HaoZeke <https://github.com/HaoZeke>_, who will reply to issues and pull requests opened on this repository as soon as possible. You can mention them directly if you did not receive an answer after a couple of days.

It was previously maintained by @DavideTisi <https://github.com/DavideTisi>_ (2023 to 2026), many thanks to them for their work making the atomistic cookbook awesome!