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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




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