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[ESPResSo-users] About p3m auto tune feature.

From: Joe
Subject: [ESPResSo-users] About p3m auto tune feature.
Date: Thu, 24 May 2012 21:51:32 -0400


I am still using 3.0.2 and 3.0.1 to keep insistency so haven't installed 
version 3.1.0. In my tcl script, I first created every particle with their 
charges and the tuned it p3m and then started the main loop. Is this the 
correct order it? My guess is when the machine reads line of auto tune, it 
stops reading more until the parameters for given accuracy are obtained. Then 
those parameters are stored and used until the simulation ends. If the guess is 
true, I have turn everything on, including fluidics, LJ potential, before I 
start to tune it, otherwise the contribution of those parts are not counted in. 

I also tried to get those parameters displayed by using inter coulomb. I tried 
it in several ways: puts {inter coulomb}, puts "inter coulomb", inter coulomb 
... But never get them displayed in the standard output. Did I use wrong 
commands, or I did it the wrong way? 


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