Here are some programs implementing the Voronoi-Delaunay method,
developed by the MDS Laboratory staff
Aim
program
Short information
Calculaton and visualisation of the Voronoi polyhedra and Delaunay simplices
VP&DS
EXE-modules (for Windows platform). Can be used for study the method and for analysis of local structure of the selected atoms.
Calculation of the Voronoi polyhedra and statistics of some metric and topological characteristics
VOR
Old, but reliable and fast program for calculation of the Voronoi polyhedra. On the base of algorithm published in 1986. Program code: Fortran77.
Calculation of the Voronoi network (Voronoi-Delaunay tesselation) for a system of points (monosized spheres)
TES
Chronologically, it is the next (after VOR) version for calculaton of the Voronoi-Delaunay tesselation. It is specialized for calculation of the Voronoi network . Program code: Fortran77
Calculation of the Voronoi S-network: Voronoi-Delaunay tesselation for a system of shperes of different radii
VNP
The program calculates the Voronoi S-network for a system of spheres of different radii. (Additively weighted Voronoi diagram). An algorithm with efficiency lineal with the number of atoms O(N), is implemented.
Calculation of cavities inside molecular dynamics models of liquids
cavity-volumes-pbc
This program calculates volume and area of cavities available for a given probe inside molecular dynamics models with periodic boundary conditions. Uses CGAL's regular triangulation. C++ source code.