AiiDA Tutorials

AiiDA Tutorials

Fundamentals
- Setup
- Basics
- Testing
Calculation processes
- Running your first calculation
- Dealing with errors
Data
- Working with data and querying your results
- Querying for data
Workflows
Plugins
- Interfacing with external codes - Example
- Template your own plugin package

Contents

Profile

Warning

This page was created from a pull request (#326).

Setup¶

Profile¶

Fundamentals AiiDA basics

By The AiiDA team.
© Copyright 2019, ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (Theory and Simulation of Materials (THEOS) and National Centre for Computational Design and Discovery of Novel Materials (NCCR MARVEL)), Switzerland and ROBERT BOSCH LLC, USA. All rights reserved.