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calculating MSD in tutorial LBM part3


From: Ahmad Reza Motezakker
Subject: calculating MSD in tutorial LBM part3
Date: Tue, 17 Nov 2020 16:18:19 +0000

Dear All, 


I was checking the third part of LBM tutorial (http://espressomd.org/html/tutorials_html/04-lattice_boltzmann/04-lattice_boltzmann_part3.html) and I noticed a point.

As far as I know, The output of MSD correlator is in order of lag time, # of points, MSD_x, MSD_y, and MSD_z (am I right?) 

In calculating the MSD, according to the code, it is going to sum all the five columns (including lag time and the # o points) for each time step as follows:

com_pos_msd_results.append(np.sum(com_pos_cor.result(), axis=1))

That is how I understand, am I making a mistake?

Moreover, the .lag_time() seems not working in the new versions.

I really appreciate that if you let me know your opinion.


Best Regards,

Ahmad Reza


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