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libmultiscale/test/coupling/MD1D_MECA1D/test_Xiao/test_Xiao.config
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test_Xiao.config
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################################################################
#section la plus generale
################################################################
Section MultiScale AtomsUnits
UNITCODE AtomsUnits
DIMENSION 1
###### constants ######
LET r0 = 1.23157195294235
LET NBATOMS = 1000
LET LMD = NBATOMS*r0
LET ELSIZE = 8.1*r0
LET NBEL = 300
LET LFE = ELSIZE*NBEL
LET bridgingSize = ELSIZE*10
LET rcut = 2.2*r0
LET WaveLength = 200
###### geometries ######
#MD geom
GEOMETRY mdGeom BALL CENTER 0 RADII 0 LMD+bridgingSize
#FE geom
GEOMETRY feGeom BALL CENTER 0 RADII LMD LMD+LFE
# coupling geom
GEOMETRY bridgeGeom BALL CENTER 0 RADII LMD LMD+bridgingSize-ELSIZE
# boundary geom
GEOMETRY boundGeom BALL CENTER 0 RADII LMD+bridgingSize-ELSIZE LMD+bridgingSize
#stimulation geom
GEOMETRY stimGeom BALL CENTER 0 RADII 0 LMD
###### model declaration ######
ELAST_CODE MECA1D fe
MD_CODE MD1D md
###### couplings ######
COUPLING_CODE bdm md fe XIAO BLOCK_PARAMS BZone
###### stimulations ######
FILTER central_zone GEOM INPUT md GEOMETRY stimGeom
STIMULATION initial_wave IMPULSE INPUT central_zone LWAVE WaveLength*r0 DIRECTION 0 INTENSITY 1.1e-3 ONESHOT 0
###### dumpers ######
DUMPER dmd1d DUMPER1D INPUT md FREQ 100 PREFIX ./ FIELD position
DUMPER dfe1d DUMPER1D INPUT fe FREQ 100 PREFIX ./ FIELD position
DUMPER dparamd PARAVIEW INPUT md FREQ 100 PREFIX ./ DISP VEL FORCE
DUMPER dparafe PARAVIEW INPUT fe FREQ 100 PREFIX ./ DISP VEL FORCE
DUMPER unmatched-point-bdm-boundary PARAVIEW DISP VEL FORCE ONESHOT 0 PREFIX ./ \
INPUT bdm.unmatched-point-boundary
DUMPER unmatched-point-bdm-bridging PARAVIEW DISP VEL FORCE ONESHOT 0 PREFIX ./ \
INPUT bdm.unmatched-point-bridging
DUMPER unmatched-fe-bdm-boundary PARAVIEW DISP VEL FORCE ONESHOT 0 PREFIX ./ \
INPUT bdm.unmatched-mesh-boundary
DUMPER unmatched-fe-bdm-bridging PARAVIEW DISP VEL FORCE ONESHOT 0 PREFIX ./ \
INPUT bdm.unmatched-mesh-bridging
DUMPER matched-point-bdm-boundary PARAVIEW DISP VEL FORCE ONESHOT 0 PREFIX ./ \
INPUT bdm.matched-point-boundary
DUMPER matched-fe-bdm-boundary PARAVIEW DISP VEL FORCE ONESHOT 0 PREFIX ./ \
INPUT bdm.matched-mesh-boundary \
DUMPER matched-point-bdm-bridging PARAVIEW DISP VEL FORCE ONESHOT 0 PREFIX ./ \
INPUT bdm.matched-point-bridging \
ADDFIELD bdm.weight-point \
ADDFIELD bdm.lambdas-point
DUMPER matched-fe-bdm-bridging PARAVIEW DISP VEL FORCE ONESHOT 0 PREFIX ./ \
INPUT bdm.matched-mesh-bridging \
ADDFIELD bdm.weight-mesh \
ADDFIELD bdm.lambdas-mesh
endSection
################################################################
#MD section
################################################################
Section MD1D:md AtomsUnits
RCUT rcut
R0 r0
MASS 39.95
TIMESTEP 10
EPSILON 1.6567944e-21/6.94769e-21
SIGMA 1.1
DOMAIN_GEOMETRY mdGeom
endSection
################################################################
#FE section
################################################################
Section MECA1D:fe AtomsUnits
ELEM_SIZE ELSIZE
DOMAIN_GEOMETRY feGeom
MASS 39.95
R0 r0
RCUT rcut
EPSILON 1.6567944e-21/6.94769e-21
SIGMA 1.1
TIMESTEP 10
endSection
################################################################
#Coupling section
################################################################
Section BZone AtomsUnits
GEOMETRY bridgeGeom
BOUNDARY boundGeom
GRID_DIVISION 10
QUALITY 1e-3
endSection
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