OSSCAR widgets and extensions

OSSCAR widgets and extensions

We have developed custom widgets related to computational chemistry and physics. For instance, we developed a interactive periodic table. Besides, we also developed JupyterLab extensions, which can help development.

Widget Periodic Table

A Jupyter widget for an interactive periodic table.

../_images/widget_periodictable.png

Widget DOS and Bandstructure Plot

A Jupyter widget to plot bandstructures and density of states.

../_images/widget_bandsplot.png

Widget Brillouin Zone Visualizer

A Jupyter widget to plot the 1st Brillouin zone and path for the band structure.

../_images/widget_bzvisualizer.png

Widget JSmol

A Jupyter widget to use Jmol/Jsmol.

../_images/widget_jsmol.png

Widget Code Input

A widget to allow input of a python function, with syntax highlighting.

../_images/widget_code_input.png

Extensions

Molecular rendering with POVRAY

A collection of tools to render molecular structures into high quality images or videos using the POVRAY engine.

../_images/electrostatic_colormap.png

Extension to Run and Hide Codes

A JupyterLab extension to run and hide all codecells.

../_images/hide-input.gif

Extension to Visualize Molecular Orbitals

A JupyterLab launcher extension to visualize Gaussian cube files.

../_images/mol-visualizer.gif