Hello All,
what is the difference between boundary condition s (non-periodic and shrink-wrapped) and m (non-periodic and shrink-wrapped with a minimum value), I tried to read the documentation but could not understand.
Where is the problem with this explanation?
For style m, shrink-wrapping occurs, but is bounded by the value specified in the data or restart file or set by the create_box command. For example, if the upper z face has a value of 50.0 in the data file, the face will always be positioned at 50.0 or above, even if the maximum z-extent of all the atoms becomes less than 50.0. This can be useful if you start a simulation with an empty box or if you wish to leave room on one side of the box, e.g. for atoms to evaporate from a surface.