Hi,
I was wondering if the lj/smooth pair potential is outdated.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,
Burcu
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).
Cheers,
Craig
pair_lj_smooth.cpp (16.4 KB)
pair_lj_smooth.h (1.35 KB)