Janosh Riebesell

`imageRequest` still invalid prop

8

@mkhorton I just installed the latest version `crystal-toolkit==2023.10.24`, hoping https://github.com/materialsproject/mp-react-components/pull/699 will have fixed the `write_structure_screenshot_to_file.py` script. https://github.com/materialsproject/crystaltoolkit/blob/cf2c1a9344b0d4811b3facb11d3aaa1a11a902b7/crystal_toolkit/apps/examples/write_structure_screenshot_to_file.py#L10-L18 I just adapted it to run with the new `CrystalToolkitPlugin` but I still...

Structure viewer legend doesn't update when changing the color scheme.

1

Visited https://next-gen.materialsproject.org/toolkit and selected "Accessible" from the "Change color scheme" dropdown.  The colors in the legend no longer match the ball and stick...

On relaxations that require many ionic steps like https://materialsproject.org/materials/mp-1033715/tasks/mp-1033715, showing each electronic step may be too much information, making the convergence graph hard to read. Would be nice to have...

Close StructureMoleculeComponent settings pane on click outside

2

Just a small QoL improvement suggestion: It feels more natural if settings panes like the one on the `StructureMoleculeComponent` hide when clicking outside rather than having to go up and...

Add example to interactively manipulate structure/molecule

1

Just posting a Slack conversation with @exenGT so we don't forget about it. And maybe to get some thoughts from @mkhorton. > > @exenGT I'm wondering if there are currently...

Add contributor guide

2

Since less people are familiar with `poetry` than `pip`, it would help if `contributing.md` contained steps on how to setup an editable local install of `crystal_toolkit`.

`StructureMoleculeComponent` doesn't fill its container in full screen mode. In the screenshot below, the component crops off the structure into a square even thought there is more available horizontal space....

GH supports videos in markdown without needing to commit them by simply uploading the files to their CDN via the issue file uploader: ...

Clikcing on "Edit on GitHub" button results in 404 error. Due to ```diff - https://github.com/materialsproject/crystaltoolkit/blob/main/docs/first_web_app.rst ``` which should be ```diff + https://github.com/materialsproject/crystaltoolkit/blob/main/docs_rst/first_web_app.rst ```

Add ability to visualize orbital projection of bands in electronic band structure plots

1

This suggestion comes from @munrojm. We could take inspiration from https://github.com/SMTG-UCL/sumo (shout out to @utf 😄) and add an option to color bands by their orbital composition. See this example...