[lammps-users] The tricubic spline used in AIREBO potential (Pam Keating)

Thanks a lot, Pam. Good to know this.

In fact I have read the original REBO code before, however, it's difficult
to fully understand and follow due to the structure and lack of comments
in line. So I grabbed their spline coefficient and make my own piece of
REBO codes. Then I realized my conjugate potential are different from
lammps due to the spline issue. So I assume lammps spline is OK for Ni, Nj
<= 3 and the conjugate potential is reliable (not considering b case might
be a typo in paper). I should adjust my spline by a factor of two. Is that
correct? (Please comment on this)

I also concerned about the over coordinates issue, since I am using it for
defects CnT. I will contact the develop about that.

thanks
Haibin