Overview of Rascaline’s Documentation

This documentation covers everything you need to know about rascaline. It comprises of the following five broad sections:

If you are new to rascaline we recommend starting with the Getting started section. If you want to contribute to the development of the library please have a look at our developer documentation.

Getting started

If you are an absolute beginner, we recommend you to start with the get started pages to familiarize yourself with rascaline and the rascaline ecosystem.

How-to guides

This section comprises of guides that will take you through series of steps involved in addressing key problems and use-cases in rascaline. It requires intermediate to advanced knowledge of how rascaline works. If you are an absolute beginner, it is recommended you start from the Getting started section before going to the How to Guides.

Reference guides

The Reference Guide contains technical references for rascaline’s implemented calculators as well as the APIs. It describes the various functionalities provided by rascaline. You can always refer to this section to learn more about classes, functions, modules, and other aspects of rascaline’s machinery you come across.

Explanations

The explanation section discusses key topics and concepts at a fairly high level and provides useful explanations to expand your knowledge of rascaline. It requires at least basic to intermediate knowledge of rascaline If you are an absolute beginner, we recommend you start from the Getting started section of the documentation.

Developer documentation

The developer guide introduces the aspects of how contributing to the code base or the documentation of rascaline.