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

[Medina Hernando, Stefan]

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:
https://github.com/stmedina/espresso


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

Cheers,

Stefan

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