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Re: [ESPResSo-users] Stress Tensor
From: |
Axel Arnold |
Subject: |
Re: [ESPResSo-users] Stress Tensor |
Date: |
Fri, 02 May 2014 14:33:41 +0200 |
User-agent: |
Mozilla/5.0 (Macintosh; Intel Mac OS X 10.9; rv:24.0) Gecko/20100101 Thunderbird/24.4.0 |
Hi,
there was a bug in the stress tensor parser that was fixed on the master
July last year. You might want to update to the current master, since
latest release is before that date.
Cheers,
Axel
On 02.05.14 10:49, Muhammad Anwar wrote:
Hello,
Dear Users,
I am using espresso (ESPResSo-3.1.1-418-g057595e-dirty-git) and
computing the stress tensor, I compute total pressure tensor for
Lennard jones fluid in two way;
set p_tensor_full [analyze stress_tensor];
set total [lindex $p_tensor_full 0]
set p_tensor [analyze stress_tensor total]
I find different results for both. Are not they same quantities? If
not what is the difference between them because from user guide it
look like they are same.
I am attaching minimum script to check.
Thanks
Best Regards,
--
JP Dr. Axel Arnold
ICP, Universität Stuttgart
Allmandring 3
70569 Stuttgart, Germany
Email: address@hidden
Tel: +49 711 685 67609