Archived

This repository contains jupyter notebooks demonstrating how to work with AiiDA. Compatible with AiiDA <1.0.

aiida_demos

A repository of jupyter notebooks containing examples, tutorials and demos of AiiDA.

Installation

No installation needed - just click "launch binder"!

If you prefer to run the AiiDA demos on your computer, see the AiiDA documentation for instructions to install AiiDA.

Then:

pip install aiida-quantumespresso
git clone https://github.com/aiidateam/aiida_demos
cd aiida_demos/notebooks
jupyter notebook

A Jupyter tab should open in your browser from which you can select the notebook you want to run.

If Jupyter does not open automatically, point your browser to http://localhost:8888/tree/

Building the binder image locally (for development)

pip install jupyter-repo2docker
git clone https://github.com/aiidateam/aiida_demos
repo2docker aiida_demos

In order to enter directly into app-mode, use the URL http://127.0.0.1:<port>/apps/apps/home/start.ipynb

Acknowledgements

This work is supported by the MARVEL National Centre for Competency in Research funded by the Swiss National Science Foundation, as well as by the MaX European Centre of Excellence funded by the Horizon 2020 EINFRA-5 program, Grant No. 676598.