[lammps-users] Can lammps run GCMC

LAMMPS LAMMPS Mailing List Mirror
1

Dear everyone,

I have used lammps to compute the MD part, and now I am trying to combine
both MC and MD.

I am wondering that whether lammps can be used in grand
canonical Monte Carlo (GCMC) simulations to computer Adsorption isotherms.

If lammps can, how can it be. please give some advices! Thanks a lot!

Regards,
Elena

2

You'd have to add code. Can't do GCMC with LAMMPS as-is.

Paul