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[ESPResSo-users] Stress Tensor

From: Muhammad Anwar
Subject: [ESPResSo-users] Stress Tensor
Date: Fri, 2 May 2014 10:49:04 +0200
User-agent: Mozilla/5.0 (X11; Linux x86_64; rv:17.0) Gecko/20130330 Thunderbird/17.0.5

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.


Best Regards,

Muhammad Anwar
Theory of Soft Condensed Matter
162 a, Avenue De La Faiencerie, BRB 0.05
Universite of Luxembourg
1511  Luxembourg

Tel. (+352) 46 66 44 6106

Attachment: lj_1.tcl
Description: Text Data

Attachment: config_initial
Description: Text document

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