[Top][All Lists]

[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]

[ESPResSo-devel] Pressure virials changes

From: Josh Berryman
Subject: [ESPResSo-devel] Pressure virials changes
Date: Mon, 24 Jun 2013 11:46:19 +0200

Hello, I'm trying to merge down the main branch with some local code, partly with a view to submitting (maybe, eventually)  but mainly just to consolidate and check work that has been done here by Anwar and not kept up to date.

.....I've come across a change in the pressure calculation on the main branch, fairly recent:

Rudolf Weeber (Hi Rudolf!)
commit 464f2bf67f82a79b56134fe39c4b3a85467df592

- #ifdef ROTATION
-[0] /= (6.0*volume*time_step*time_step);
- #else[0] /= (3.0*volume*time_step*time_step);
- #endif you might expect, this means that my merged code (if ROTATION is defined) gives half the ideal contribution to the pressure that the old code did, which is a fairly big behaviour change.

Have I messed up my merging, or is there something meaningful happening here which I need to understand? 


reply via email to

[Prev in Thread] Current Thread [Next in Thread]