Dear Lammps users,
I am trying to add terminal groups to the surface of a Germanium slab and I would need a topology file for the detection of the bonds. My problem is that tersoff force field is a manybody potential so I have no explicit bonds built in lammps input file.
Any suggestions how to obtain a topology file in this case?
Kind regards,
Lorenzo
Dear Lammps users,
I am trying to add terminal groups to the surface of a Germanium slab and I would need a topology file for the detection of the bonds. My problem is that tersoff force field is a manybody potential so I have no explicit bonds built in lammps input file.
Any suggestions how to obtain a topology file in this case?
can you explain in more detail, what exactly you want to do and how?
and what specific information you are looking for. your description is
too vague and generic to make any specific suggestion. i have some
guesses, but if i am guessing wrong, i will be giving you wrong
advice. please always keep in mind, that responses from the mailing
list can only be as good, specific, and detailed as the questions are.
axel.