MSST related doubts

LAMMPS LAMMPS Mailing List Mirror
1

Dear Steve and everyone:

I was using the fix msst command to load a shock to a monoclinic cell. But when I read the manual of LAMMPS, I encountered a doubt. “For all pressure styles, the simulation box stays orthogonal in shape. Parrinello-Rahman boundary conditions (tilted box) are supported by LAMMPS, but are not implemented for MSST” which is mentioned in the manual. Does this means that the MSST only applies to orthogonal systems? Or is it the wrong pressure when I simulate a monoclinic cell.

Thank you very much!

Best regard!

Sincerely Jun
2

it means that fix msst is not aware of any box tilts and will treat your system as if it has an orthogonal box, i.e. only deformations in x, y, and z can happen. to say whether that is producing correct results or not, I do not have the expertise. axel.