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 = 4.032*sqrt2/2
LET r1 = r0*sqrt3


LET lx = 80
LET ly = 45

LET LX = lx*r0
LET LY = ly*r1

GEOMETRY 1 CUBE BBOX -LX LX -LY LY

COM DISTRIBUTED
MD_CODE LAMMPS md



LET when = 0
LET factor = 1

COMPUTE pos EXTRACT INPUT md FIELD position0

FOR k in range 1 lx 1
    LET wavelengthX = 2.*lx/k
    LET wavelengthY = 2.*ly/k
#    WAVELENGTH wavelengthX*r0 wavelengthY*r1 0 ONESHOT when DIRECTION 0 INTENSITY 1.0e-3 STAGE PRE_DUMP
    COMPUTE sin${when}-${wavelengthX}-${wavelengthY} PYTHON INPUT pos FILENAME sin
    STIMULATION harmonic${when}-${wavelengthX}-${wavelengthY} FIELD INPUT md COMPUTE sin${when}-${wavelengthX}-${wavelengthY} FIELD displacement ONESHOT when
    LET when = when+1
endFOR

LET filtersize = 25*r0
LET cut = 20*r0
LET rcut = 30*r0
COMPUTE sf SPATIAL_FILTER INPUT md CUTOFF_WAVELENGTH cut FILTER_SIZE filtersize RCUT rcut FILTER_NPOINT 10000 DENSITY r0*r1/2 PBC 1 1 FIELD displacement FUNCTION lowpass #REPLICA 1 1

COMPUTE disp EXTRACT INPUT md FIELD displacement
COMPUTE dispMax REDUCE INPUT disp OPERATOR MAX
COMPUTE amplitudeMax REDUCE INPUT sf OPERATOR MAX

COMPUTE compute_wavelength PYTHON INPUT amplitudeMax FILENAME wl
DUMPER dump_amplitude TEXT INPUT compute_wavelength PREFIX ./ ADD_COMPUTE dispMax

DUMPER dumper_paraview PARAVIEW INPUT md MASS P0 DISP VEL FORCE FREQ 1 ADDFIELD sf PREFIX ./
endSection

Section LAMMPS:md RealUnits
LAMMPS_FILE in.lj
DOMAIN_GEOMETRY 1
endSection