Hello,
I am trying to use fixed boundary conditions along only one axis. It seems that atoms will always try and cross this boundary, causing the simulation to crash. Is there a way that I can apply some kind of force along the boundary so that the atoms will resist the temptation to cross? Also, is there a way to apply a pressure along one boundary? I am trying to condense my structure along one axis only. Any help would be greatly appreciated.
Thank You,
Cameron Hadden
Michigan Technological University