A Jupyter widget to plot band structure and density of states.
Project description
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 commitand agit 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.
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