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Re: [ESPResSo-devel] Pressure calculation / P3M stress tensor

From: Christoph Junghans
Subject: Re: [ESPResSo-devel] Pressure calculation / P3M stress tensor
Date: Fri, 03 Apr 2009 17:38:00 +0200
User-agent: Internet Messaging Program (IMP) H3 (4.1.4)

Hi Kai,

as far as I can see it is not obsolete. In line 175 1/3 of the total pressure is put on the diagonal of pressure tensor. This helps to make the trace of the pressure tensor, which is the pressure itself, correct. But all off-diagonal coulomb terms are 0. So e.g. calculations of viscosity out of the pressure tensor will be wrong.

Christian told in the Schwarzwald, that it is straight forward, but still some work, to derive the formulas. Can one of the P3M experts comment on that?



Zitat von Kai Grass <address@hidden>:


can someone tell me if the warning issued by the pressure calculation
that the P3M stress tensor is not implemented (pressure.c, line 176)
is obsolete? There definitely is some code in that section ...


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