To use compute orientorder/atom calculation over same type of atoms

LAMMPS LAMMPS General Discussion
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1

Hello all

I would to calculate the bond order parameter using the nearest same type of atom. That is, say in a system of water and NaCl ions, I want to use only the nearest neighbors of NaCl ions in my orientorder/atom calculations.

Thanks

2

Available options on how to use the orientorder/atom command are listed in the documentation. If that is not sufficient for your needs, you will have to modify the source code.

3

ok got it
Thanks