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