Section MultiScale RealUnits DIMENSION 2 UNITCODE RealUnits #lattice constant for aluminum at 0K first neighbor interaction LET sqrt3 = 1.73205080756887729353 LET sqrt2 = 1.4142135623730950488 LET r0 = 4.0320*sqrt2/2 LET r1 = r0*sqrt3 LET L0 = r0*800 LET L1 = r1*50 GEOMETRY 1 CUBE BBOX -L0/2 L0/2 -L1/2 L1/2 COM DISTRIBUTED MD_CODE LAMMPS md COMPUTE p0 EXTRACT INPUT md FIELD position0 COMPUTE radial PYTHON INPUT p0 FILENAME wl STIMULATION disp FIELD INPUT dofs=md INPUT field=radial FIELD displacement STAGE PRE_DUMP DUMPER para PARAVIEW INPUT md DISP ONESHOT 0 FREQ 100 DUMPER dumperRESTART RESTART INPUT md ONESHOT 0 endSection Section LAMMPS:md RealUnits TIMESTEP 1 LAMMPS_FILE lammps.in DOMAIN_GEOMETRY 1 endSection