hello users,
IS there any command in lammps to calculate RDF based on center of mass?
regards
hello users,
IS there any command in lammps to calculate RDF based on center of mass?
regards
No - there was a recent thread on the mail list about this, with suggestions
of how to output the COM for each chunk (chunk can be any collection of atoms)
to a file, so you could post-process the RDF. Someone would have
to contribute a compute rdf/chunk.
Steve
Ok, thanks.