andeplane/molecular-dynamics-fys3150 — pull request #2 by judofyr (2014-12-04 13:48:26+00:00)
Title: Rebuild neighborlist only when required

Keep track of how many atom-pairs are still within rShellSquared and
rebuild neighborlists when this number is too high.

I've also renamed numNeighborPairs to totalComparedNeighborPairs in
neighborlist.h to more accurately describe what it's counting.