[ESPResSo-devel] [bug #36434] Pressure calculation -- The user's guide does not reflect the code

[Rudolf Weeber]

URL:
  <http://savannah.nongnu.org/bugs/?36434>

                 Summary: Pressure calculation -- The user's guide does not
reflect the code
                 Project: ESPResSo
            Submitted by: rudolfweeber
            Submitted on: Tue 08 May 2012 12:56:22 PM CEST
                Category: User's Guide
                Severity: 3 - Normal
                  Status: None
             Assigned to: None
             Open/Closed: Open
         Discussion Lock: Any
                 Release: None
           Fixed Release: None

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Details:

In the manual it states regarding the ideal gas term for the pressure
that the number of degrees of freedom per particle
is 3 if rotation is off 
and 6 if rotation is on.
However, this does not reflect the code. In the code, the ideal gas pressure
contribution  is only calculted from translational degrees of freedom and the
degrees of freedom per particle is set to three.
The code, in my opinion, is correct, because for non-interacting particles,
the amount of momentum they transfer, when they slam into the wall does not
depend on their rotational velocity.
Hence, we probably have to change the manual (and some comments in the code).






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