[lammps-users] how to apply oscillatory shear

Dear Fellow LAMMPS-Users,

I'm interested in obtaining rheological properties (G'(w) and G"(w)) of a polymeric melt via NEMD simulations. The most readily available way to do this in LAMMPS seems to be to use the SLLOD algorithm along with the fix deform command (with the wiggle option to tilt the simulation box in an oscillatory manner). Is this thought correct? Also, is there a way to implement Lees-Edwards boundary conditions as oppose to tilting the box?

Thanks in advance!


Yes, use fix deform wiggle with or without NEMD/SLLOD via fix nvt/sllod.
LAMMPS does not do LE BC. If someone can explain why LE would be useful
when you can do deformations, I'd like to understand this better.
I thought the 2 methods were essentially equivalent.