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libmultiscale/test/coupling/PARADIS_LAMMPS/test_HybridDislo1/test_HybridDislo1.config
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test_HybridDislo1.config
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################################################################
Section MultiScale MetalUnits
# global variables
DIMENSION 3
UNITCODE MetalUnits
COM DISTRIBUTED
# domain definitions
LET LX = 60
LET LY = 40
LET LZMIN = -2
LET LZMAX = 10
LET DETECTZ = 2
# material parameters
LET A = 3.18421500000000
#LET A = 1
LET AX = A
LET AY = A*sqrt(3)
LET AZ = 2*A*sqrt(6)/3 # = A * sqrt(4*2*3) / 3 = A *sqrt(8)/sqrt(3)
LET rcut = 7.50000000000000
LET timestep = 1e-3
LET A = 3.18421500000000
LET r0 = A
#LET spread = r0/2
#LET pos = 40
LET pos = 0
LET shear = 0.01
LET start = 100
INCLUDE test_HybridDislo1.config Geometries
PROCESSORS md_part 1
PROCESSORS dd_part 1
MODEL LAMMPS md_part
MODEL PARADIS dd_part
COUPLING_CODE template dd_part md_part CADDTEMPLATE DETECTGEOM detectGeom PADGEOM padGeom MDGEOM mdGeom DISLO_ORIENTATION 0 SEARCH_DIM 1 TOL 1e-12 SHEAR shear SHEAR_START start INITIAL_X -120*A SHEAR_STRESS -1e12
STIMULATION md_dislo DISLO INPUT md_part BLOCK_PARAMS dislo_params
#STIMULATION dd_dislo DISLO INPUT dd_part BLOCK_PARAMS dislo_params
STIMULATION quench RAZ INPUT md_part FIELD velocity COEF 0.9 FREQ 1 END start
STIMULATION zero RAZ INPUT md_part FIELD velocity ONESHOT start
COMPUTE position EXTRACT INPUT md_part FIELD position
COMPUTE shear PYTHON INPUT position FILENAME shear
STIMULATION add_shear FIELD INPUT md_part FIELD displacement COMPUTE shear ONESHOT start ADDITIVE
#FOR freq in 1 10 100
FOR freq in 100
DUMPER md_paraview${freq} PARAVIEW INPUT md_part FREQ freq BLOCK_PARAMS paraview_dump_params
DUMPER dd_paraview${freq} PARAVIEW INPUT dd_part FREQ freq BLOCK_PARAMS paraview_dump_params
endFOR
#DUMPER md_initial PARAVIEW INPUT md_part FREQ 1 END 20 ADDFIELD shear BLOCK_PARAMS paraview_dump_params
#DUMPER dd_initial PARAVIEW INPUT dd_part FREQ 1 END 20 BLOCK_PARAMS paraview_dump_params
endSection
################################################################
#Lammps section
Section LAMMPS:md_part MetalUnits
LAMMPS_FILE inputfull.dataCB
DOMAIN_GEOMETRY mdGeom
endSection
################################################################
Section PARADIS:dd_part MetalUnits
NUMDLBSTEPS 0
CONTROLFILE paradis.ctrl
DATAFILE paradis.data
TIMESTEP timestep
DOMAIN_GEOMETRY 1
endSection
################################################################
Section paraview_dump_params MetalUnits
MASS
DISP
VEL
FORCE
P0
PREFIX dumps
endSection
################################################################
Section dislo_params MetalUnits
STAGE PRE_DUMP
BURGERS r0
POS -20*A 0 0
POISSON 0.3250621346085783
ONESHOT 0
THETA 90
NB_REPLICA 0
LINE_DIR 0 0 1
SLIP_PLANE 0 1 0
endSection
################################################################
Section Geometries MetalUnits
GEOMETRY mdGeom CUBE BBOX -LX*AX LX*AX -LY*AY LY*AY LZMIN*AZ LZMAX*AZ
#GEOMETRY 5 CUBE BBOX -LX*AX LX*AX -LY*AY LY*AY LZMIN*AZ 0
#definition of the boundaries
GEOMETRY xBoundary CUBE BBOX -LX*AX LX*AX -LY*AY LY*AY LZMIN*AZ LZMAX*AZ \
HOLE LX*AX-2*rcut 0 0
GEOMETRY yBoundary CUBE BBOX -LX*AX LX*AX -LY*AY LY*AY LZMIN*AZ LZMAX*AZ \
HOLE 0 LY*AY-2*rcut 0
GEOMETRY boundary UNION IDS 2 3
#definition of the detection geometry
GEOMETRY detectGeom CUBE BBOX -LX*AX+2*rcut LX*AX-2*rcut -rcut rcut 0 DETECTZ*AZ
#definition of the free MD geomety
GEOMETRY freeMD CUBE BBOX -LX*AX+2*rcut LX*AX-2*rcut -LY*AY+2*rcut LY*AY-2*rcut 0 LZMAX*AZ
#definition of the pad geometry
GEOMETRY padGeom SUB IDS mdGeom freeMD
endSection
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