Jupyter front end for cubeprop

[andysim]

Description

I've completely abused matplotlib, to turn it into a cheesy 3D viewer. This could be quite useful for quickly visualizing things and an easy way to make pretty pictures.

• New Features
  • [ ] Add visualizer for densities, orbitals, potentials, etc.

Any questions for the community?

• [ ] Do we want this in p4np? I'm happy to close if it's outside the scope.
• [ ] Should this be moved to a central location so that it can easily be dialed up as a helper?
• [ ] Which other properties should we throw in? ESPs on a density isosurface could be handy.

Status

• [ ] Click when ready for review-and-merge (NOPE! This is extremely messy proof of principle, pending feedback).

[codecov-io]

Codecov Report

Merging #48 into master will not change coverage. The diff coverage is n/a.

[dgasmith]

I dont thinks this is out of scope and is actually quite cool :)

I need to think on various aspects, we might pull in a few of our visualization collaborators to see if they have other library ideas for visualization. Would you be open to using another open source visualization tool?

[dgasmith]

@andysim Do you want to go ahead and get this in? We need to take a repo snapshot for the paper in the next several days.

[dgasmith]

@andysim Poke.

[dgasmith]

One note is that we seem to be behind Plotly these days: https://plot.ly/python/3d-surface-plots/

Might be worth a look.

[loriab]

Those are very nice plotly plots!