coordination number for granular system

I have tried to calculate coordination number for a compact data-set with the command compute/cord/gran and got a very low number so I decided to write separate code and do this calculation. I considered two particles to be neighbors if their distance is less than or equal to the sum of their radii and got a reasonable result. I don't know why there is such a difference.

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ckloss | Mon, 07/25/2011 - 08:24

Hi saraanvari, would you mind

Hi saraanvari, thanks for bringing this up. Would you mind to share the results and the case you were running? I could then have a closer look.

Thanks, Christoph

saraanvari | Tue, 07/26/2011 - 13:50

I think I have mailed you a

I think I have mailed you a very compact pack and an input file once, with the commands "compute cord coord/gran" and "dump dmpc all custom 2000 post/dump.coord id c_cord " I get the coordination number per each particle and then average on the total number of particles to get the mean coordination number just for the initial state and before the program dumps the new states, however it is very low. So I decided to dump the id x y z radius of particles to calculate coordination number for each particle with my own code and it worked very well.

ckloss | Tue, 07/26/2011 - 14:39

I would not call it compact,

I would not call it compact... that's 200k particles and unhandy to debug. If you would be able to provide a smaller data set (say 1k particles) and the exact input script that reproduces the problem, that would be great!