Section MultiScale RealUnits

# TO_REVIEW actually not testing anything

DIMENSION 2
UNITCODE RealUnits 

#lattice constant for aluminum at 0K first neighbor interaction
LET E       = 10.0752834
LET r0      = 2.86043784873051
LET sigma   = 2.54836041275412
LET mass    = 26.98154
LET epsilon = 1.05766750495631
LET A       = 4.04527
LET rcut    = 3.14648163360356
LET cL      = 0.0364484912035075
LET r1      = r0*sqrt(3)

LET REPX = 200
LET REPY = 4
LET L0 = r0*REPX
LET L1 = r1*REPY

GEOMETRY cube           CUBE BBOX -L0/2 L0/2 -L1/2 L1/2

MD_CODE LAMMPS mdDom 

DUMPER md PARAVIEW INPUT mdDom MASS DISP VEL FORCE FREQ 1000 PREFIX ./
STIMULATION impulse-planar   IMPULSE INPUT mdDom LWAVE L0/10 DIRECTION 0 INTENSITY 1e-3 CENTER 0 0 STAGE PRE_DUMP ONESHOT 0
COMPUTE disp EXTRACT INPUT mdDom FIELD displacement
COMPUTE position0 EXTRACT INPUT mdDom FIELD position0
COMPUTE check PYTHON INPUT disp ADD_COMPUTE position0 FILENAME check
DUMPER wave_front TEXT INPUT check FREQ 100 START 1000
endSection

Section LAMMPS:mdDom RealUnits
TIMESTEP 1
LAMMPS_FILE lammps.in
DOMAIN_GEOMETRY cube
CREATE_HEADER
LATTICE hex
LATTICE_SIZE r0
LATTICE_ORIGIN 0.25 0.25 0.25
BOUNDARY p p p
REPLICA -REPX/2 REPX/2 -REPY/2 REPY/2 0 1
SPACING 1 sqrt(3) 1
endSection