Nicola Marzari wrote: > > > Hi Kostya, > > a few possibilities, although I'm not sure they work with > periodic boundary conditions: > > http://netlib.bell-labs.com/netlib/voronoi/hull.html > > http://www.csb.yale.edu/userguides/datamanip/volume/volume_descrip.html > > http://www.qhull.org/ > > > nicola > > > > Konstantin Kudin wrote: > >> Hi all, >> >> Does anybody know where I could find a program to compute Voronoi >> polyhedra volume for something like water ? >> >> Thanks! >> Kostya >
Hi, There is also an example (F35.F, A (2D) and B(3D), programs on microfiche) in the book M. P. Allen, D. J. Tildesley, Computer Simulation of Liquids. This is for a cubic box with periodic boundary conditions. Best regards, Goranka
