shear in YX


I would like to know whether it is possible to make a shear in the XY direction followed by a shear in YX. I am simulating an amorphous 2D material, so responses to these two deformations are not equivalent.



LAMMPS has restrictions on the shape of the triclinic boxes
it supports. This leads to restrictions on what kinds of
shear you can apply, e.g. xy and not yx. See section 6.12
of the manual and the fix deform doc page.

However, they are not “restrictions” in the sense you can

simulate any box shape you want, so long as you rotate/invert
it into the box shapes LAMMPS supports. Hence you could
do an xy deformation, and (assuminging it comes back to
be an orthogonal box), you could then write out a data file,

flip x and y, then do more xy deformation (which would now
be the yx deformation you speak of).