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[lammps-users] Using compute cluster/atom to create group
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[lammps-users] Using compute cluster/atom to create group


From: Imanuel Kristanto <imanuelkristanto@...24...>
Date: Thu, 17 Aug 2017 23:27:56 +0900

Dear LAMMPS users,

I have related questions to my previous thread.
In brief, my system is consisted of silver nanoparticles in aggregates. I have used the following command to obtain the histogram of the cluster size:
compute cluster 1 cluster/atom 2.9
compute cc1 1 chunk/atom c_cluster compress yes
compute size 1 property/chunk cc1 count
fix 2 1 ave/histo 10000 1 10000 0 30 30 c_size mode vector ave one beyond ignore file tmp.histo
My question are:
1. Is it possible to use this command to create group (of atoms which belong to the cluster) for each cluster? 
2. Or is it possible to obtain the list of atom-IDs for all atoms assigned to the clusters?

Thank you.
--
Best Regards,
Kristanto