[lammps-users] any reference for lj/smooth

Dear LAMMPS users,

We are using lj/smooth for a smooth and continuous energy and force of
interaction. But it is hard to understand that the polynomial
coefficients C1, C2, C3, C4 are computed by LAMMPS in the source file,
pair_lj_smooth.cpp.

I was wondering there is any reference related to the theory of
lj/smooth. Or any reference able to cite once we use "lj_smooth".
Thanks a lot.

Hongyi

The code should just be implementing the formula
on the lj/smooth doc page. If that's not
enough, I suggest contacting the person who
contributed that code, listed at the top of the pair_lj_smooth.cpp
file, namely Craig Maloney, UCSB. He might be somewhere
else by now.

Or just look in the literature on smoothing potentials - I think
this is fairly standard to tack on a fitted piece that matches
slopes in the 0 and 1st derivative at the inner cutoff and goes to 0.0 at
the outer cutoff.

Steve