Dear lammps users,
I wish to use a potential function of the form A/r^12 in conjunction with more classical potentials like Morse and Coulomb. Is there a way to do this in the current version of lammps or do I have to add a new potential class to the source code for this simple function?
In the latter case, would you advise to write this new class by modifying the Lennard-Jones or the Buck class (or other)?
Regards.
Dear lammps users,
I wish to use a potential function of the form A/r^12 in conjunction
with more classical potentials like Morse and Coulomb. Is there a way to
do this in the current version of lammps or do I have to add a new
potential class to the source code for this simple function?
1) you can always use pair style table for pairwise potentials,
however good tabulation requires practice and some experimentation. i
would suggest to first reproduce simulations with an existing
potential before moving on to a new functional form.
2) using lj/cut with the cutoff set to sigma*2^(1/6) is a pretty good
approximation.
axel.
You can use pair_style table to tabulate it, then use that
with pair hybrid.
Steve