public class NeighborList extends Object
The routine is a simplified version of the neighbor list described in [Eisenhaber, F. and Lijnzaad, P. and Argos, P. and Sander, C. and Scharf, M. , The Double Cubic Lattice Method: Efficient Approaches to Numerical Integration of Surface Area and Volume and to Dot Surface Contourin gof Molecular Assemblies, Journal of Computational Chemistry, 1995, 16:273-284] 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|
public NeighborList(IAtom atoms, double radius)
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