taskESPResSo - Tasks: task #12570, Allow dynamic switching between...


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task #12570: Allow dynamic switching between virtual site types

Submitted by:  Olaf Lenz <olenz>
Submitted on:  Wed 10 Apr 2013 09:41:16 AM UTC  
Should Start On: Tue 09 Apr 2013 10:00:00 PM UTCShould be Finished on: Tue 09 Apr 2013 10:00:00 PM UTC
Category: Simulation corePriority: 5 - Normal
Status: NoneAssigned to: None
Open/Closed: OpenPlanned Release: None

Wed 10 Apr 2013 09:41:16 AM UTC, original submission:

Currently, we have two types of virtual sites, the center-of-mass virtual sites and the relative virtual sites. You have to choose either of these via the two features "VIRTUAL_SITES_COM" or "VIRTUAL_SITES_RELATIVE".

Currently, it is not possible to turn on both features. However, there is no physical reason why you should not have virtual sites of both types in one simulation. The reason for that is that both implementations use the same variables and structures. It should be no problem to make both implementations independent of each other, so that it is possible to combine both of them.

Olaf Lenz <olenz>
Project Administrator


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