test_GEOMETRY.config
3fe696d8c6c2lammps_2020

test_GEOMETRY.config
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			Section MultiScale AtomsUnits
			DIMENSION 2
			UNITCODE AtomsUnits

			#lattice constant for aluminum at 0K first neighbor interaction
			LET r0 = 4.0320*sqrt(2)/2
			LET r1 = r0*sqrt(3)

			LET REPX = 500
			LET REPY = 280
			LET L0 = r0*REPX
			LET L1 = r1*REPY

			GEOMETRY cube CUBE BBOX -L0/2 L0/2 -L1/2 L1/2
			GEOMETRY cube-1d-hole CUBE BBOX -L0/2 L0/2 -L1/2 L1/2 HOLE L0/10 0
			GEOMETRY cube-2d-hole CUBE BBOX -L0/2 L0/2 -L1/2 L1/2 HOLE L0/10 L1/5
			GEOMETRY circle BALL CENTER 0 0 RADII 0 L0/4
			GEOMETRY circle-hole BALL CENTER 0 0 RADII L0/10 L0/4

			MD_CODE LAMMPS md

			#DUMPER cube PARAVIEW INPUT md MASS DISP VEL FORCE FREQ 100 PREFIX ./
			#FILTER cube-1d-hole GEOM INPUT md GEOMETRY cube-1d-hole
			#DUMPER cube-1d-hole PARAVIEW INPUT cube-1d-hole MASS DISP VEL FORCE FREQ 100 PREFIX ./
			#FILTER cube-2d-hole GEOM INPUT md GEOMETRY cube-2d-hole
			#DUMPER cube-2d-hole PARAVIEW INPUT cube-2d-hole MASS DISP VEL FORCE FREQ 100 PREFIX ./
			#FILTER circle GEOM INPUT md GEOMETRY circle
			#DUMPER circle PARAVIEW INPUT circle MASS DISP VEL FORCE FREQ 100 PREFIX ./
			#FILTER circle-hole GEOM INPUT md GEOMETRY circle-hole
			#DUMPER circle-hole PARAVIEW INPUT circle-hole MASS DISP VEL FORCE FREQ 100 PREFIX ./

			endSection

			Section LAMMPS:md AtomsUnits
			TIMESTEP 1
			LAMMPS_FILE lammps.in
			DOMAIN_GEOMETRY cube
			CREATE_HEADER
			LATTICE hex
			LATTICE_SIZE r0
			LATTICE_ORIGIN 0.25 0.25 0.25
			BOUNDARY p p p
			REPLICA -REPX/2 REPX/2 -REPY/2 REPY/2 0 1
			SPACING 1 sqrt(3) 1
			endSection