Interface iAVHash

Main differences are:

• Optimized grid size to ensure we only ever need to look +/-1 cell
• Aware of atomic radii and will only output atoms within rAtom + rExtra (see withinRadii method)

(Uses rounding rather than bitshifting as consequence of arbitrary grid size)

param

x coordinates

param

y coordinates

param

z coordinates

param

atom radii

param

xyz min coordinates

param

xyz max coordinates

param

max distance