Dear lammps users
I want to use a combination of Morse plus electrostatic potential described in several papers to model amorphous SiO2. Is there a possiblity to combine this two interations via a command in the in.file? Or have I to change the code for this purpose?
Best regards and thanks in advance.
Sabine
hi sabine,
Dear lammps users
I want to use a combination of Morse plus electrostatic potential described
in several papers to model amorphous SiO2. Is there a possiblity to combine
this two interations via a command in the in.file? Or have I to change the
code for this purpose?
you don't need to change the code.
you can just use pair_style hybrid/overlay
and then use morse with coul/cut or coul/long
as needed. alternatively, you could tabulate
the potentials.
cheers,
axel.