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libmultiscale/test/coupling/LAMMPS_AKANTU/test_Xiao/test.config
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Section CommonPart RealUnits
UNITCODE RealUnits
DIMENSION 2
#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*1000
LET L1 = r1*20
LET LFEM0 = L0
LET LFEM1 = L1
LET rcut = 3.89461293159
LET factorM = 4
LET factorN = 120
LET WaveLength = 200
LET NBELEM = 120
LET ELEMSIZE = LFEM0/NBELEM
LET bridgingSize = 6*ELEMSIZE
########################
###### geometries ######
########################
#MD geom
GEOMETRY 1 CUBE BBOX -L0/2-rcut L0/2+rcut -L1/2 L1/2
############ first FE zone ##########
#FE geom 1
GEOMETRY 2 CUBE BBOX -LFEM0-L0/2+bridgingSize -L0/2+bridgingSize -L1/2 L1/2
# coupling geom 1
GEOMETRY 3 CUBE BBOX -L0/2 -L0/2+bridgingSize -L1/2 L1/2
# boundary geom 1
GEOMETRY 4 CUBE BBOX -L0/2-rcut -L0/2+r0/10 -L1/2 L1/2
############ second FE zone ##########
#FE geom 2
GEOMETRY 5 CUBE BBOX L0/2-bridgingSize L0/2-bridgingSize+LFEM0 -L1/2 L1/2
# coupling geom 2
GEOMETRY 6 CUBE BBOX L0/2-bridgingSize L0/2 -L1/2 L1/2
# boundary geom 2
GEOMETRY 7 CUBE BBOX L0/2-r0/10 L0/2+rcut -L1/2 L1/2
###### model declaration ######
ELAST_CODE AKANTU fe1
ELAST_CODE AKANTU fe2
MD_CODE LAMMPS md
###### couplings ######
COUPLING_CODE lbdm md fe1 XIAO GEOMETRY 3 BOUNDARY 4 GRID_DIVISION 2 2 QUALITY 1e-3
COUPLING_CODE rbdm md fe2 XIAO GEOMETRY 6 BOUNDARY 7 GRID_DIVISION 2 2 QUALITY 1e-3
###### stimulations ######
FILTER central_md GEOM INPUT md GEOMETRY 1
STIMULATION impulse IMPULSE INPUT central_md LWAVE WaveLength*r0 DIRECTION 0 INTENSITY 1.1e-3 ONESHOT 0
###### dumpers ######
DUMPER paramd PARAVIEW INPUT md DISP VEL FORCE FREQ 100 PREFIX ./
DUMPER parafe1 PARAVIEW INPUT fe1 DISP VEL FORCE FREQ 100 PREFIX ./
DUMPER parafe2 PARAVIEW INPUT fe2 DISP VEL FORCE FREQ 100 PREFIX ./
DUMPER unmatched-point-rbdm-boundary PARAVIEW DISP VEL FORCE ONESHOT 0 PREFIX ./ \
INPUT rbdm.unmatched-point-boundary
DUMPER unmatched-point-rbdm-bridging PARAVIEW DISP VEL FORCE ONESHOT 0 PREFIX ./ \
INPUT rbdm.unmatched-point-bridging
DUMPER unmatched-point-lbdm-boundary PARAVIEW DISP VEL FORCE ONESHOT 0 PREFIX ./ \
INPUT lbdm.unmatched-point-boundary
DUMPER unmatched-point-lbdm-bridging PARAVIEW DISP VEL FORCE ONESHOT 0 PREFIX ./ \
INPUT lbdm.unmatched-point-bridging
DUMPER unmatched-fe-rbdm-boundary PARAVIEW DISP VEL FORCE ONESHOT 0 PREFIX ./ \
INPUT rbdm.unmatched-mesh-boundary
DUMPER unmatched-fe-rbdm-bridging PARAVIEW DISP VEL FORCE ONESHOT 0 PREFIX ./ \
INPUT rbdm.unmatched-mesh-bridging
DUMPER unmatched-fe-lbdm-boundary PARAVIEW DISP VEL FORCE ONESHOT 0 PREFIX ./ \
INPUT lbdm.unmatched-mesh-boundary
DUMPER unmatched-fe-lbdm-bridging PARAVIEW DISP VEL FORCE ONESHOT 0 PREFIX ./ \
INPUT lbdm.unmatched-mesh-bridging
DUMPER matched-point-rbdm-boundary PARAVIEW DISP VEL FORCE ONESHOT 0 PREFIX ./ \
INPUT rbdm.matched-point-boundary
DUMPER matched-point-lbdm-boundary PARAVIEW DISP VEL FORCE ONESHOT 0 PREFIX ./ \
INPUT lbdm.matched-point-boundary
DUMPER matched-point-rbdm-bridging PARAVIEW DISP VEL FORCE ONESHOT 0 PREFIX ./ \
INPUT rbdm.matched-point-bridging \
ADDFIELD rbdm.weight-point \
ADDFIELD rbdm.lambdas-point
DUMPER matched-point-lbdm-bridging PARAVIEW DISP VEL FORCE ONESHOT 0 PREFIX ./ \
INPUT lbdm.matched-point-bridging \
ADDFIELD lbdm.weight-point \
ADDFIELD lbdm.lambdas-point
DUMPER matched-fe-rbdm-bridging PARAVIEW DISP VEL FORCE ONESHOT 0 PREFIX ./ \
INPUT rbdm.matched-mesh-bridging \
ADDFIELD rbdm.weight-mesh \
ADDFIELD rbdm.lambdas-mesh
DUMPER matched-fe-lbdm-bridging PARAVIEW DISP VEL FORCE ONESHOT 0 PREFIX ./ \
INPUT lbdm.matched-mesh-bridging \
ADDFIELD lbdm.weight-mesh \
ADDFIELD lbdm.lambdas-mesh
endSection
################################################################
#MD section
################################################################
Section LAMMPS:md RealUnits
LAMMPS_FILE lammps.in
DOMAIN_GEOMETRY 1
TIMESTEP 1
endSection
################################################################
#FE section1
################################################################
Section AKANTU:fe1 RealUnits
DOMAIN_GEOMETRY 1
MESH_FILENAME mesh.msh
MATERIAL_FILENAME material.dat
TIMESTEP 1
SCALE LFEM0/factorN LFEM1/factorM
SHIFT -LFEM0-L0/2+bridgingSize -L1/2
PBC 0 1
endSection
################################################################
#FE section2
################################################################
Section AKANTU:fe2 RealUnits
DOMAIN_GEOMETRY 1
MESH_FILENAME mesh.msh
MATERIAL_FILENAME material.dat
TIMESTEP 1
SCALE LFEM0/factorN LFEM1/factorM
SHIFT L0/2-bridgingSize -L1/2
PBC 0 1
endSection
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