Hi,
In trying to calculate the number of contacts per particle, I found that contact/atom gives me the incorrect result. I have attached a simple test: 2 particles (particles #7 and #8) sandwiched between two layers of 3 particles. From coord/atom and from the contact force dump, each particle clearly has 4 contacting neighbors, yet contact/atom does not give this result (it gives 3). Any ideas?
Run in.contact to see all of this. I have played with excluding certain groups from the neighbor list but with no success. I have not tried to mimic this in larger tests, I just noticed it for a simple test I was running.
Thanks!
| Attachment | Size |
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 contact_test.tar_.gz | 2.68 KB |
ckloss | Mon, 03/25/2013 - 15:22
Hi rchurley,
Hi rchurley,
compute contact/atom is performing fine, but you're applying it to "nve_group" only.
Cheers
Christoph
rchurley | Mon, 03/25/2013 - 17:55
Hi,
Hi,
Thanks for your reply. Not sure why it gives 3 contacts when applied only to nve_group (there are only 2 atoms in nve_group, each with 5 contacts), but I see that it will give me 5 when applied to all. Thanks!
Ryan