[MMTK] finding neighbors

Konrad Hinsen hinsen@cnrs-orleans.fr
Tue, 7 Aug 2001 10:35:29 +0200


> Is there a way to rapidly find all neighbors of a given atom or molecule
> within an arbitrary radius?

For molecules (more precisely, the objects in the universe):

  PartitionedCollection(universe).selectShell(reference_point, distance)

At the atom level:

  PartitionedAtomCollection(universe).selectShell(reference_point, distance)

See the reference manual for details.

Konrad.
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