Efficient method to compute RDF between CoMs!

[hhoang]

Dear Developers and Users,

I am trying to compute the RDF between CoMs. I have seen an approach proposed that first the CoMs are calculated and exported, then one can do post-process for the RDF between CoMs.

I am curious if there are any alternative or more efficient methods for achieving this?

Thank you in advance for your assistance.

Best regards,
Hoang

[akohlmey]

@hhoang

I am curious if there are any alternative or more efficient methods for achieving this?

You would have to program a custom compute style for that. So far, nobody has wanted that enough to submit such a style for inclusion into LAMMPS.

[hhoang]

@akohlmey

You would have to program a custom compute style for that. So far, nobody has wanted that enough to submit such a style for inclusion into LAMMPS.

Dear akohlmey,
Thank you for your quick response.
So I will follow the usual approach.
Thanks,
Hoang