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Re: Fast calculation of pair correlation function

  • To: mathgroup at smc.vnet.net
  • Subject: [mg98669] Re: Fast calculation of pair correlation function
  • From: markus <markusg.phys at googlemail.com>
  • Date: Thu, 16 Apr 2009 04:11:55 -0400 (EDT)
  • References: <gs1ntd$7ij$1@smc.vnet.net> <gs47nl$7rg$1@smc.vnet.net>

Hi,

thank you all for your answers! I hope in the next days I have time to
check all of them and tell you...

To clarify, what I wanted to achive with my code is a histogram
particle number vs. distance, ie. how many particles can be found in
the sample, seperated by a distance r+-deltaR (where deltaR is very
small because you will usually not find any two particles *exactly* a
distance r apart). For example, when you have a crystal and the
positions in my data sample represent the atoms, you will end up with
a histogram consisting of more of less sharp peaks, since the
particles can be found only at certain distances from each other.

And there was also a little mistake in my code (as Sseziwa pointed
out): of course the value of the histogram must be increased whenever
there is a particle at the given distance, hence it must read:
histogr[[ ... ]]++

-Markus


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