Dear All,
I am trying to define different pairwise interactions between the same atoms depending on the distance between them. For example: If the distance is below a certain threshold, pairwise force-field “A” will be active whereas pairwise force-field “B” will be active when the distance is above the certain threshold? Could anyone please tell me is there any way of achieving this in Lammps without modifying the source code?
Thank you so much for your help.
Sincerely
Shoieb Chowdhury
Dept of Mechanical Engineering
University of Rochester
Dear All,
I am trying to define different pairwise interactions between the same atoms depending on the distance between them. For example: If the distance is below a certain threshold, pairwise force-field “A” will be active whereas pairwise force-field “B” will be active when the distance is above the certain threshold? Could anyone please tell me is there any way of achieving this in Lammps without modifying the source code?
the only ways i can think of would be to either use pair style table or pair style python, but the latter is very slow, so it would be advisable to use pair_write to generate a suitable table with it. the python pair style is good for testing and debugging, though. both styles are limited to pairwise additive potentials.
axel.