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Re: [lammps-users] Regarding RDF output
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Re: [lammps-users] Regarding RDF output

From: Axel Kohlmeyer <akohlmey@...24...>
Date: Sat, 29 Jul 2017 09:27:45 -0400

On Sat, Jul 29, 2017 at 9:13 AM, Jeams Anderson <anddersonnyc@...24...> wrote:
Dear All

I have calculated four system with 10, 20, 40 and 80 gas molecules. I calculated the RDF between the center atom of gas molecules. However, when I plotted RDF profile in a single graph for different number of molecules, I found that there is no intensity variation. Although higher intensity for higher number of molecules system is logical.

​no. it is not logical at all.

the very definition of the g(r) is the ratio between the actual probability to find a particle at distance r for the given system and an ideal gas with the same particle density.​

Therefore, The output value of the RDF from LAMMPS is normalized? If so, then I could I get the output without normalization?

​you cannot. it would not be a g(r).



Thanks in advance for helping.

Best Regard


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Dr. Axel Kohlmeyer  akohlmey@...12...24...
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.