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[ESPResSo-users] Correlation


From: roya moghaddasi
Subject: [ESPResSo-users] Correlation
Date: Wed, 23 Apr 2014 07:56:13 -0700 (PDT)

Hello everybody,
I have three questions:
1.  When you write time=[setmd time], what is the time that it gives you? What is its unit?
2. I have some polymers in my system and I want to calculate its velocity autocorreletion in order to find the  decay time or the time my system relaxes, so I write the following:
set vel [observable new particle_velocities type [list 0]]
set vacf1 [correlation new obs1 $vel corr_operation scalar_product tau_max 1 dt $time_step]
correlation $vacf1 write_to_file "vacf1.dat"
What it gives me in vasf1.dat is some lines like:
0 579900 11953.9
0.005 579899 11906.2
0.01 579898 11793.8
0.015 579897 11647.8
I don't know the meaning of each column. Of course I read the Espresso manual about it but I need more explanation, and I want to know how to find the decay time by these information.
3. I want to add Lattice Boltzman to my simulation and I need to see some sample codes about it or some projects on it. It really helps me since LB is complicated for me.
I would appreciate if someone can help me.
Thank you very much.
Roya


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