Dear all lammps users
My simulated system has two types of atoms (type 1 and type 2).
According to some specified criteria, atom (type 1) will create a bond with atom (type 2) during the simulation. At the same time, the atom (type 2) will change its type to (type 3).
I can achieve this task with the following command:
fix f1 all bond/create 10 1 2 11.0 1 jparam 2 3
So now I have a bond atom (type1) and atom (type 3).
During the simulation, under some specified condition, this bond between atom (type1) and (type 3) can also break. At the same time, the atom (type 3) should change its type back to (type 2).
I only know the command “fix bond/break” can break the bond, but does anyone know how i can change the atom type 3 to type 2 at the same time?
Thanks
TOM