Hi LAMMPS users,
I am simulating systems consisting of 10,000 to 50,000 rigid particles.
Each rigid particle contains 9 atoms. As I see in the LAMMPS
documentation of fix_rigid, such systems do not yield good scale in
parallel. Is there any way around this problem, such that I can run
simulations as fast as possible?
a) you could write your own integrator where you integrate not the
equations of motion for each atom, but for each particle (similar to
the asphere integrators).
b) you could write a pair style so that the interactions of your
particles can be used with the existing asphere integrators.
or in short you don't treat your particles as collection of atoms
with constraints, as real rigid objects and then map the forces on
each atom of each particle into a force on the center of mass and a
torque around the center.