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dense-crystal.config
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Wed, Jan 1, 11:33

dense-crystal.config

Section MultiScale AtomsUnits
DIMENSION 3
UNITCODE AtomsUnits
LET A = 4.0320
LET L = A*10
GEOMETRY 1 CUBE BBOX -L L -L L -L L
COM DISTRIBUTED
PROCESSORS md $NPROC
MD_CODE LAMMPS md
#DUMPER PARAVIEW DISP 0 VEL 0 FORCE 0 PREFIX ./
endSection
Section LAMMPS:md AtomsUnits
LAMMPS_FILE dense-crystal.in
DOMAIN_GEOMETRY 1
TIMESTEP 1
endSection

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