nothing is printed in the dump file.

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1

Dear lammps user,
I am simulating a liquid where very low concentration of water is present say 2% or 3% from literature we have found that the oxygen atoms under low water concentration forms a cluster and I want to determine the cluster size the distance between the atoms was found to be 3.5A . So after grouping the atoms properly I ran the command

Compute cluster oxygen cluster/atom 3.5

Dump calc_agg oxygen custom 100 cluster.dat c_cluster

but, nothing is there in the dump file.

Thanks
Devargya

cluster.dat (122 KB)

2

Please always report your LAMMPS version and platform you are running on.

3

i looked at your file, and there is data in it, it is the cluster ID for each of the 825 atoms in the group and it appears there is just one cluster for the entire group with the ID 6002, which would be the smallest atom ID of all 825 atoms.

axel.