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Jupyter front end for cubeprop #48

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andysim
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@andysim andysim commented Mar 8, 2018

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
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codecov-io commented Mar 8, 2018

Codecov Report

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

@dgasmith
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dgasmith commented Mar 8, 2018

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
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@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
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dgasmith commented Jun 1, 2019

@andysim Poke.

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dgasmith commented Jun 1, 2019

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
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loriab commented Jun 1, 2019

Those are very nice plotly plots!

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4 participants