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libmultiscale/test/coupling/MD1D_MECA1D/test_Kobayashi/test_Kobayashi.config
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test_Kobayashi.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 1 BALL CENTER 0 RADII 0 LMD
#FE geom
GEOMETRY 2 BALL CENTER 0 RADII LMD-bridgingSize LFE
# coupling geom
GEOMETRY 3 BALL CENTER 0 RADII LMD-bridgingSize LMD-ELSIZE
# boundary geom
GEOMETRY 4 BALL CENTER 0 RADII LMD-ELSIZE LMD
#stimulation geom
GEOMETRY 5 BALL CENTER 0 RADII 0 LMD
#inner geom
GEOMETRY 6 BALL CENTER 0 RADII 0 LMD-2*bridgingSize
###### model declaration ######
ELAST_CODE MECA1D fe
MD_CODE MD1D md
###### couplings ######
COUPLING_CODE kob md fe KOBAYASHI GEOMETRY 3 BOUNDARY 4 GRID_DIVISION 10 QUALITY 1e-3
###### stimulations ######
FILTER central_zone GEOM INPUT md GEOMETRY 6
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
endSection
################################################################
#MD section
################################################################
Section MD1D:md AtomsUnits
RCUT rcut
R0 r0
MASS 39.95e-3
TIMESTEP 1
EPSILON 1.6567944e-21/6.94769e-21
SIGMA 1.1
DOMAIN_GEOMETRY 1
endSection
################################################################
#FE section
################################################################
Section MECA1D:fe AtomsUnits
ELEM_SIZE ELSIZE
DOMAIN_GEOMETRY 2
MASS 39.95e-3
R0 r0
RCUT rcut
EPSILON 1.6567944e-21/6.94769e-21
SIGMA 1.1
TIMESTEP 1
endSection
################################################################
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