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It'd be a little more convenient to, at least in simpler cases, allow lookup just by atom indices. That's really all of the information that's stored in some of those key objects:
In [19]: out["Bonds"].potentials[(0, 1)]
I'm not sure if this should return a PotentialKey or Potential
The text was updated successfully, but these errors were encountered:
Description
Indexing into a collection to get (physics) parameters with known atom indices requires creating a new instance of a key:
It'd be a little more convenient to, at least in simpler cases, allow lookup just by atom indices. That's really all of the information that's stored in some of those key objects:
I'm not sure if this should return a
PotentialKey
orPotential
The text was updated successfully, but these errors were encountered: