[Pw_forum] Voronoi polyhedra volume

[Konstantin Kudin]

 Nicola and Goranka,

 Thanks for suggestions! My further question is if anybody actually
used any of these programs :-)

 Specifically, the one from bell-labs has troubles compiling with
recent GCC, while giving highly criptic error message:
'pasting "seen" and "->" does not give a valid preprocessing token'

 The stuff from Yale's website does not have any code, just the
description.

 Finally, the description for "qhul" does not mention that it would
compute volumes.

 Any extra information here?
 
 Thanks!
 Kostya

--- Goranka Bilalbegovic <goranka.bilalbegovic at zg.htnet.hr> wrote:

> 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
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