[lammps-users] Is this potential available in lammps?

Dear Steve, Lammps-users,

I have a quick question. I am interesting in using one of the potential forms which I came across recently in one of the articles. As far as my knowledge is concerned, all but one terms are available in lammps. I am attaching that equation as a image file in a word document. I will highly appreciate if anyone could tell me if I could perform simulations in LAMMPS using this potential. The term which I don’t know is the second term of the equation. The rest are as follows
First term: Columbic
Second term: Don’t know
Third term: Morse (implemented as pair style)
Fourth term: Quadratic angle potential.

Any insights will be highly appreciated.


equation.doc (33 KB)

LAMMPS has no potential with the 2nd term in your eq. You'd have
to implement it, or tabulate the whole thing and use pair_style table.


Thanks Steve,
tabulation sounds good for now.