Hi Lammps users and developers,
I am trying to simulate a slitpore in contact with bulk. I need the system to be periodic in x , y , z directions for bulk region but for slit pore region system need to be non-periodic in y - direction. Please find below a schematic
Hi Lammps users and developers,
I am trying to simulate a slitpore in contact with bulk. I need the system
to be periodic in x , y , z directions for bulk region but for slit pore
region system need to be non-periodic in y - direction. Please find below
a schematic> non-periodic | periodic
--------------------------------------------------------slit pore region bulk region
^
y |
--> x--------------------------------------------------------
z-direction is perpendicular to the plane of figure. It would be great if
someone could tell me how to setup both periodic and non-periodic in
y-direction.
you cannot. it makes no sense.
you will have an ill-defined system in x- and z-direction with your setup.
just use all-periodic boundaries and leave sufficient space in y direction
between the slit pore walls.
axel.