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ageller / EmeryInteractive

MIT License
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better coordination #15

Open ageller opened 4 years ago

ageller commented 4 years ago

Show their coordination (nearest neighbor) geometries (the octahedral and tetrahedral that can be formed assigning the nearest neighbors to be verticies of a polyhedra).

I will need Jon to define their locations

ageller commented 4 years ago

could do this with an algorithm that if you have an atom selected, then calculate the distances to all other atoms (and include mirroring), then show only the nearest neighbors connected with cylinders. Keep the selected atoms where they live in the lattice. Hide all others. If no atom is selected, then can use the default coordination view (in corner).

Then in coordination button, want three options (only one selectable at a time), "atom", "oct", "tet", and box to enter number of shell (e.g., if 2, then take the 2nd set of nearest neighbors). Max at 3.