public class NeighborList extends Object
The routine is a simplified version of the neighbor list described in (Eisenhaber, F. et. al.. Journal of Computational Chemistry. 1995. 16) and is based on the implementation by Peter McCluskey. Due to the fact that it divides the cube into a fixed number of sub cubes, some accuracy may be lost.
Constructor and Description |
---|
NeighborList(IAtom[] atoms,
double radius) |
Modifier and Type | Method and Description |
---|---|
int[] |
getNeighbors(int ii) |
int |
getNumberOfNeighbors(int i) |
public NeighborList(IAtom[] atoms, double radius)
Copyright © 2018. All Rights Reserved.