[Pw_forum] radial distribution function

[Nichols A. Romero]

Try the textbook:

Algorithm 7 in
"Understanding Molecular Simulation" by
Daan Frenkel & Berend Smit

If you need a code that actually computes the rdf, I can probably find my
old Fortran code.

On Tue, Feb 26, 2008 at 4:21 AM, Axel Kohlmeyer <akohlmey at cmm.chem.upenn.edu>
wrote:

> 2008/2/26 Dongdong Kang <kddst2005 at yahoo.com.cn>:
> > Dear all
> >
> > I know that the 'md' code can calculate the radial distribution
> function,
> > and  I want to know how to calculate this function. But I can't find the
> > source code which can calculate the 'rdf' function.   Can anyone tell me
> > which file include the source code ?
>
> there is an example of a RDF code only in about every
> MD textbook on the market. ...and if that is not enough you
> can do a short web search. off the top of my head i'd know
> about 10 places (MD codes, MD tutorials) where one could
> find one. so please look again.
>
> cheers,
>   axel.
>
>
> >
> > thanks
> >
> > Dongdong Kang
> > National University of Defense Technology, P R China
> > 410073, Hunan, Changsha
> >
> >  ________________________________
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>
>
> --
> =======================================================================
> Axel Kohlmeyer   akohlmey at cmm.chem.upenn.edu   http://www.cmm.upenn.edu
>  Center for Molecular Modeling   --   University of Pennsylvania
> Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
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-- 
Nichols A. Romero, Ph.D.
DoD User Productivity Enhancement and Technology Transfer (PET) Group
High Performance Technologies, Inc.
Reston, VA
443-567-8328 (C)
410-278-2692 (O)
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