[lammps-users] Radial Distribution Function

Dear All,

I have a question about radial distribution function (rdf) in Lammps. Is is possible to calculate two-dimensional pair correlation function using rdf function in Lammps?

Thanks for your advance,

Rizal

No - someone would have to write such a compute.

Steve

Dear Rizal,

Is it not difficult to compute pair correlation function, based on the coordinate data. The basic idea is to find the number of pairs with a separation between r and r+dx, where dx=L/200 works well for argon and L is the boundary of the simulation cell. I suggest you to try it out on your own. You may fine tune dx for your system. Refer to Computational Physics by Jos Thijssen chap. 8 for reference.

Pls send my regards to your supervisor, Prof. Lai.

Regards,
Christopher