Feature request: allow to visualize iso-surfaces in structures

lab-cosmo / chemiscope

An interactive structure/property explorer for materials and molecules

http://chemiscope.org

BSD 3-Clause "New" or "Revised" License

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Feature request: allow to visualize iso-surfaces in structures #117

Open Luthaf opened 3 years ago

Luthaf commented 3 years ago

Allowing to visualize iso-surfaces, e.g. for electronic density, would be very nice. Most visualization engines support something like this, so the main issues on our side are

[ ] Define how to store the 3D data in the input JSON file/in-memory dataset
[ ] Add options to configure the iso-surface rendering (colors, iso-value, …)

ceriottm commented 1 year ago

Just noting that with #292 and #290 this is possible by hard-coding the isosurfaces as custom shapes. Probably NOT how we want to do this so the issue stays open, but if someone is desperate, now it should be possible to display orbital and densities as isocontours.