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[ESPResSo-users] About correlation property
From: |
marc |
Subject: |
[ESPResSo-users] About correlation property |
Date: |
Tue, 6 Nov 2012 13:35:20 -0200 (UYST) |
User-agent: |
SquirrelMail/1.4.15 |
Hi Everybody
I am using the new correlation property to calculate diffusion constant in
a system with 800 beads. But a question arise , the msd number isn't the
diffusion constant by a factor of 6. This is right or 3D is taken in
account an only a factor 2 applies ?
Below is as I set the script.
set pox [observable new particle_positions all]
set msd [correlation new obs1 $pox corr_operation
square_distance_componentwise tau_lin 2 tau_max 2 dt 0.005 compress1
discard1]
correlation $msd autoupdate start
Best Regards
Dr. Marc Segovia
CCBG-DETEMA
Facultad de Quimica
Universidad del Republica
11700 Montevideo
Uruguay
- [ESPResSo-users] About correlation property,
marc <=