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[lammps-users] Compute rdf commad g(r)
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[lammps-users] Compute rdf commad g(r)


From: Chuanxing Zhan <chuanxingzhan@...16...>
Date: Wed, 11 Apr 2018 17:44:53 +0000 (UTC)

Dear lammps User,

Hello, everyone! I have some understanding problem about compute rdf in lammps, I read the instruction in lammps website,  instruction doesn't mention any  detail for how to compute the atoms rdf between two molecules. My question is,  when we compute  atomes rdf g(r), how the lammps command work? For example, if I have a CO2, and I want to compute the O-O rdf, but there are two Oxygen atoms in the specific molecule (the molecule we chose as center to calculate the rdf), does the lammps calculate the O-O rdf in the specific molecule? 

Any explantion would be appreciate.

Thanks,
Kerwin