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Re: [ESPResSo-users] Analyze Particle Distribution in Espresso

From: Georg Rempfer
Subject: Re: [ESPResSo-users] Analyze Particle Distribution in Espresso
Date: Tue, 29 Sep 2015 15:20:10 +0200

A quick review of the code revealed the following:

"analyze distribution" yields the probability of finding a particle of type_b at a certain distance around a particle of type_a. It does so disregarding the fact that a bin for a larger radius represents more volume. Ergo \sum_i bin[i] = 1.

"analyze rdf" calculates the same values for the bins but then divides by (bin_volume / simulation_volume), where bin_volume=(4.0/3.0)*pi*(r_out^3 - r_in^3), so a spherical shell. As far as I see it, this definition coincides with the definition of "the" rdf (

I agree that this is not properly reflected in the User's guide.

On Tue, Sep 22, 2015 at 11:27 AM, padidela uday <address@hidden> wrote:
Hello all,

           Can anyone please elaborate about particle distribution
observable. Like does it give the percent probability distribution of particles?
Is there any _expression_, like how the analyze particle distribution observable is used
and particle distribution is analyzed?

How is it different from radial distribution function?

Any kind of help would be appreciable.

Thank you



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