Программа рассчитывает S-сетку Вороного для системы шаров разного радиуса.
Данный вариант программы является демонстрационной версией и доступен для свободного использования в научных и учебных целях. При использовании программы следует ссылаться на статью: Medvedev N.N., Voloshin V.P., Luchnikov V.A., Gavrilova M.L. An algorithm for three-dimensional Voronoi S-network . J. of Comput. Chem. Vol. 27, (14) , pp. 1676 - 1692 (2006). PDF
Подробней о S-сетке Вороного и ее приложениях:
1. M.G. Alinchenko, A.V. Anikeenko, N.N. Medvedev, V.P. Voloshin, M. Mezei, P. Jedlovszky. Morphology of voids in molecular systems. A Voronoi-Delaunay analysis of a simulated DMPC membrane. J.Phys.Chem., B 2004, 108, 19056-19067.
2. Н.Н.Медведев "Метод Вороного-Делоне в исследовании струкуры .некристаллических систем" , Новосибирск, издательство СО РАН, 2000г.
3. N.N.Medvedev. "Computational Porosimetry," in the book: Voronoi's impact on modern science.Book 1-2, Ed. P.Engel, H.Syta, Institute of Math., Kiev, p.164-175, 1998.
4. S.V.Anishchik, N.N.Medvedev. Three-dimensional Apollonian packing as a model for dense granular systems. Phys.Rev.Lett. 1995, v.75(23), p.4314-4317.
The algorithm has efficiency lineal with a number of atoms in the model O(N).
The program is free for education and scientific purposes. Using the program one ought to refer to the mentioned paper. The program is written on Fortran95 for Windows.
EXE- and INPUT ? files are in Vor_S-network_EXE.zip
Models for testing of the program are in files:
1_thousand_spheres.zip
10_thousand_spheres.zip
100_thousand_spheres.zip
They contain coordinates and radii of spheres for packings with 1000, 10000 and 100000 spheres, correspondently.
To test program:
1. copy a model, exe- , and input- files in the same directory.
2. print appropriate file names in the input-file.
3. run exe-file.
4. files contained arrays {D}, {DD}, {DA}, {Ri} and {Rb} will be created in the same directory. See abovementioned article for details.
(VNP is a tentative name of the program. It means: Voronoi Network Poly, i.e. for Polydisperse systems).
