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A cookbook wtih recipes for atomic-scale modeling of materials and molecules

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lab-cosmo/atomistic-cookbook

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The Atomistic Cookbook

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

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.