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Source code for the Atomistic Cookbook

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

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.

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.

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A collection of simulation recipes for the atomic-scale modeling of materials and molecules

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