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Highly configurable 2D (SVG) & 3D (threejs) visualisations for ASE/Pymatgen structures, within the Jupyter Notebook

Project description


CI Status Coverage CircleCI Code style: black RTD PyPI Conda

A highly configurable 2D (SVG) & 3D (threejs) visualisation creator for ASE/Pymatgen structures, within the Jupyter Notebook.

Example SVG


To create atomic configuration visualisations, principally within a Jupyter Notebook.


Contributions are very welcome.

The following will discover and run all unit test:

>> pip install -e .[testing]
>> pytest -v

Coding Style Requirements

The code style is tested using flake8, with the configuration set in .flake8, and code should be formatted with black.

Installing with ase-notebook[code_style] makes the pre-commit package available, which will ensure these tests are passed by reformatting the code and testing for lint errors before submitting a commit. It can be setup by:

>> cd ase-notebook
>> pre-commit install

Optionally you can run black and flake8 separately:

>> black .
>> flake8 .

Editors like VS Code also have automatic code reformat utilities, which can adhere to this standard.


See LICENSE file


If you encounter any problems, please file an issue along with a detailed description.

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