Dear Lammps users,
I have faced a problem with periodic boundary condition (PBC).
I want to have a pair of structure walls (e.g., a couple of layers of FCC) but outside of the simulation box. I am reading a data file with both bulk particles and wall particles, but lammps automatically pushes back the wall particles to the simulation box.
In my case of study, these wall particles should be fixed outside of the box and won't interact with each other but interact with bulk particles.
Do I was wondered is it possible to put some particles outside of the simulation box?
I would be happy if you can give me some hints.
Best regards,
Moji
Dear Lammps users,
I have faced a problem with periodic boundary condition (PBC).
I want to have a pair of structure walls (e.g., a couple of layers of
FCC) but outside of the simulation box. I am reading a data file with
both bulk particles and wall particles, but lammps automatically pushes
back the wall particles to the simulation box.
In my case of study, these wall particles should be fixed outside of the
box and won’t interact with each other but interact with bulk particles.
Do I was wondered is it possible to put some particles outside of the
simulation box?
there is no “outside” with periodic boundary conditions. what you describe is a system that is periodic in two dimensions and non-periodic in the third. that can be easily set with the boundary command. LAMMPS doesn’t care, whether your “region of interest” in not covering the entire simulation cell. atoms must be inside the simulation cell to be considered for computation or else they are replaced by either periodic replica or dropped. that is just the way it should be and the way it makes sense.
axel.