[lammps-users] parallelepiped simulation box

Is it possible to have a parallelepiped periodic simulation box in a
LAMMPS simulations?

The only way I can think to do it is to modify the region code to
include this shape and then issue the create_box command; however, I
from what I understand of the create_box documentation, I believe the
simulation box will just be a rectangular box enclosing my
parallelepiped-shaped crystal.

Any suggestions, or am I just not seeing the command that will do this?


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If you mean you want a tilted simulation box, then no, LAMMPS
doesn't currently do that. It requires more than just changing
the box shape in create_box. Someone here has an initial
version of such a feature, but it hasn't been integrated into
the release version of LAMMPS yet - probably in a few months.