[lammps-users] lj/smooth

I was wondering if the lj/smooth pair potential is outdated. When I use it I get an error message pair style invalid. I write the following in my input.

atom_style molecular

pair_style lj/smooth 9.875 10.0

Thank you,

Hi Burcu.

I have a version which is essentially a verbatim translation from LAMMPS99.

I posted a version to the list a while back, but there were some trivial but fatal bugs in that version. Here is a version I've been using for a while which seems to work fine.

(You'll need to update style.h accordingly).


pair_lj_smooth.cpp (16.4 KB)

pair_lj_smooth.h (1.35 KB)