compute coord/atom command

Dear All,

For amorphous carbon, sometimes needs to know the sp3 sp2 ratio.

I want to know when using compute coord/atom command, how to determine the cutoff value.

I saw one paper use 1.73 A (

and the other 1.85 A ( for compute coordination number.

Got lost.

Best Wishes!

That’s not a LAMMPS question - the cutoff

for compute coord/atom is an input you need
to provide.