Well, if you want to exert off-diagonal pressures and the
system to respond, then you need to use a triclinic box.
See the change_box command, or define the box initially
as triclinic, even if is orthogonal, so that it can later deform.
Steve
Well, if you want to exert off-diagonal pressures and the
system to respond, then you need to use a triclinic box.
See the change_box command, or define the box initially
as triclinic, even if is orthogonal, so that it can later deform.
Steve