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[ESPResSo-devel] [bug #36434] Pressure calculation -- The user's guide d
From: |
Rudolf Weeber |
Subject: |
[ESPResSo-devel] [bug #36434] Pressure calculation -- The user's guide does not reflect the code |
Date: |
Tue, 08 May 2012 10:56:22 +0000 |
User-agent: |
ELinks/0.12~pre5-2ubuntu2 (textmode; Ubuntu; Linux 2.6.38-rc8-vaioz+ x86_64; 114x32-2) |
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
_______________________________________________________
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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<http://savannah.nongnu.org/bugs/?36434>
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