Notebook tutorials

Description

• 1-getting_started.ipynb
• 2-basic_input_options.ipynb
• 3-total_energy_convergence.ipynb
• 4-visualisation.ipynb
• 5-centering_example.ipynb
• 6-td_propagation.ipynb
• 7-recipe.ipynb

To run jupyter lab in the octopus docker image:

1. start shell inside the container, mount current directory to /io, export port 8888 for jupyter lab:

   podman run -it -v=$(pwd):/io -p 8888:8888 registry.gitlab.com/octopus-code/octopus:develop bash

2. Start jupyter lab using a script provided in the container:

   run-jupyter-lab
   # Open url http://127.0.0.1/... in browser on host

Checklist

• I have checked that my code follows the Octopus coding standards
• I have added tests for all the new features added in this request.

Notes:

• Pipeline which executed most of the notebooks (took ca. 10h in total when summing all jobs, https://gitlab.com/octopus-code/octopus/-/pipelines/1850806153)
• Binder link (pushed manually to mpcdf, branch may not be up to date): https://notebooks.mpcdf.mpg.de/binder/v2/gl/octopus-code%2Foctopus/notebook-tutorials