Jupyter widget: Band structure visualizer

A Jupyter widget to plot band structures and density of states. The widget is using the mc-react-bands Javascript package and is turned into a Jupyter widget with anywidget.

Installation & usage

pip install widget-bandsplot

For usage examples, see examples/example.ipynb.

Development

Install the python code:

pip install -e .[dev]

You then need to install the JavaScript dependencies and run the development server.

npm install
npm run dev

Open examples/example.ipynb in Jupyter notebook or lab to start developing. Changes made in js/ will be reflected in the notebook.

Releasing and publishing a new version

In order to make a new release of the library and publish to PYPI, run

bumpver update --major/--minor/--patch

This will

• update version numbers, make a corresponding git commit and a git tag;
• push this commit and tag to Github, which triggers the Github Action that makes a new Github Release and publishes the package to PYPI.

Acknowledgements

We acknowledge support from the EPFL Open Science Fund via the OSSCAR project.