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

[Christoph Junghans]

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?

Cheers,

Christoph

Zitat von Kai Grass <address@hidden>:

> Hi,
>
> 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 is obsolete?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 ...
>
> Kai
>
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