[lammps-users] Query on bonds

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1

Dear users,
I am trying to model system with carbon & silicon atoms using tersoff potential. Is it possible to count the number of bonds between C & Silicon atoms in a particular geometric region?? If not, can i just measure the distance between adjacent atoms and count it as a bond if the distance is less than cutoff ? I am thinking that as the atoms move back & forth thru the simulation domain, the distance may change.

So, please let me know the best way to have a sense on no of bonds.

Thanks
KC

2

How about the compute coord/atom command with a cutoff
distance you choose. Else you have the dump snapshots,
you can compute whatever you want as a post-processing
task.

Steve