Cool! Thanks for adding and including the example.

@kottmanj unfortunately pulling data directly from Github is a bit slow, otherwise works and is pretty cool:

<< "https://raw.githubusercontent.com/m-a-d-n-e-s-s/madness/231da8ad3f1e1bd0031ab60b7d30a1dc2d79e0c8/src/madness/mra/tools/MRAMeshOrbitalPlot3D.wl"

MRAMeshOrbitalPlot3D[
  "https://raw.githubusercontent.com/m-a-d-n-e-s-s/madness/231da8ad3f1e1bd0031ab60b7d30a1dc2d79e0c8/src/madness/mra/tools/h2-no1"]

P.S. In the education space I can imagine making a tiny script that would (provided Docker is available) would given atomic coordinates compute orbs and plot them all ... useless to experts but might be useful for teaching "tutorials"

does anyone (but me) still use Wolfram??? Anything like this possible in Maple?

It's surely possible in Python so if someone could make this happen would be also useful

Would in general argue that convenient visualization is also useful for experts :-).

I stopped using wolfram years ago to avoid being dependent on licenses. Not sure if my current university has licenses. And even if, then collaborators etc might not have access.

Python would be pretty useful. I talked to Florian regarding plans in that direction already - time of realization will depend on the grant agency.

I have a project starting soon where a python solution for orbital visualization can also be incorporated and would be useful. Will try to realize it then.