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[ESPResSo-users] volume change and reported Tcl analysis quantities
From: |
Arash Azari |
Subject: |
[ESPResSo-users] volume change and reported Tcl analysis quantities |
Date: |
Mon, 17 Feb 2014 02:09:23 -0800 (PST) |
Hello,
I appreciate any comments on the following questions.
Suppose we change the volume of the simulating system during a long and slow
process in two different ways;
first change the simulation box dimensions which does not conserve the total
volume (shrinking or expanding)
and
second keeping the volume fixed and changing the box size (increasing one
length and decreasing the rest accordingly).
- Volume change works just by relocating the position of the all
particles, without changing other quantities like velocities and so on,
is it correct?
- Does the reported quantities from Tcl analysis like pressure, force,
temperature are physically meaningful during the change process? I mean
for example the reported pressure during the change is a real physical
quantity or it includes some artefact of the volume change process.
Thank you very much,
Best regards,
Arash
Arash AzariĀ
- [ESPResSo-users] volume change and reported Tcl analysis quantities,
Arash Azari <=