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[ESPResSo-devel] Code Modification: DPD without any interactions

From: Medina Hernando, Stefan
Subject: [ESPResSo-devel] Code Modification: DPD without any interactions
Date: Wed, 10 Apr 2013 23:26:20 +0000

Dear all,

as one of the 'thermostat DPD' users I always found it annoying that the 
thermostat is not working if not another interaction is set up. I.e. in the 
case of a pure DPD fluid I always used a dummy lennard-jones force with a 
cutoff, but no amplitude.

It was especially annoying when running tests with interactions switched off  
and forgetting about this minor detail...  So finally I was too annoyed and I 
looked into the code. It seems I fixed the problem. The thermostat DPD now 
works without any other interaction for any kind of cell/verlet system. 
(Funnily I found out that the old version worked with layered cells at least). 
The inter_dpd of course did not have this issue.

Here is the modified code:

I wish you a lot of success for the coding day! Keep up the good work!



Medina Hernando, Stefan
PhD candidate | University of Mainz
Staudingerweg 9, 55128 Mainz, Germany
+49 6131-39-20497

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