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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)

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)
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 AzariĀ 

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