[lammps-users] Questin about RDF

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1

Dear all
Hi
I have a question about Radial Distribution Function.
I have a LJ system and I am trying to generate RDF of
my system. but I have some problems about it. I red
LAMMPS documentation and I think it can not help me im
my problem. How can I use LAMMPS for computing RDF? I
will be glad if you have another package for RDF.
With the best regards
Hamed Maleki

Hamed Maleki
Physics Department, Faculty of Science,
University of Birjand, Birjand, Iran
  Home Page: http://hamedmaleki2000.googlepages.com

2

Take a look at the attached sample script. It sets up a LJ simulation,
equilibrates for 50000 timesteps, and then collects statistics every 1000
timesteps for another 10000 timesteps. After you run this script you will
find a file "test.rdf", which contains the RDF for each timestep at which
statistics were collected, as well as the average RDF.

Hope this helps,

  Lutz

test.in (607 Bytes)

3

Note that the script that Lutz posted uses the "fix rdf"
command - that is what will compute the RDF for
you.

Steve