Algorithm for Neighbors.cpp?

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1

Dear Dr. Plimpton,

I was wondering what the exact nature of your algorithm for Neighbor.cpp was.

Thanks,
Best,
Calvin Li

2

The atoms are binned into bins the size of 1/2 the
cutoff. Then each atom looks in nearby bins to find
neighbors within the force cutoff + neighbor skin
distance and stores a Verlet list. This is done
on a per-processor basis. No communication
involved.

Steve

3

I should have added that this is explained more
fully in the J Comp Phys, 1995 paper that is
the canonical LAMMPS citation - see the
WWW site for the ref.

Steve