widget-bzvisualizer


Namewidget-bzvisualizer JSON
Version 0.2.7 PyPI version JSON
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home_pageNone
SummaryA Jupyter widget to show the Brillouin zone of periodic crystals.
upload_time2024-05-21 14:23:23
maintainerNone
docs_urlNone
authorThe OSSCAR team
requires_python>=3.9
licenseBSD 3-Clause License Copyright (c) 2024, OSSCAR (Open Software Services for Classrooms and Research) team, EPFL, Lausanne, Switzerland Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met: 1. Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer. 2. Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimer in the documentation and/or other materials provided with the distribution. 3. Neither the name of the copyright holder nor the names of its contributors may be used to endorse or promote products derived from this software without specific prior written permission. THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT HOLDER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
keywords anywidget brillouin-zone jupyter jupyterlab osscar reciprocal-space widget
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bugtrack_url
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            # Jupyter widget: Brillouin zone visualizer

[![PyPI - Version](https://img.shields.io/pypi/v/widget-bzvisualizer?color=4CC61E)](https://pypi.org/project/widget-bzvisualizer/)

A Jupyter widget to plot the 1st Brillouin zone of crystals. It is based on the corresponding Javascript library: https://github.com/materialscloud-org/brillouinzone-visualizer

The primary input is a crystal structure, which is parsed by [seekpath](https://github.com/giovannipizzi/seekpath) and the result is displayed by the Javascript widget using [anywidget](https://anywidget.dev/).

This repo is bootstrapped with `npm create anywidget@latest`.

## Installation & usage

```sh
pip install widget-bzvisualizer
```

For usage examples, see `example/example.ipynb`.

## Development

Install the python code:

```sh
pip install -e .[dev]
```

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

```sh
npm install
npm run dev
```

Open `example/example.ipynb` in JupyterLab, VS Code, or your favorite editor 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

```bash
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](http://www.osscar.org/).

            

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