in.shear_no_atoms
666de878addcefficient_neuronet

in.shear_no_atoms
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			atom_style atomic
			lattice fcc 1.0
			region simRegion block -50 50 0 1 0 1
			boundary f p p
			create_box 1 simRegion
			mass 1 39.95 # need to keep this
			atom_modify sort 0 1

			lattice fcc 5.405 origin 0.25 0.25 0.25
			region atcRegion block -6.25 19.25 -3 3 -3 3
			fix AtC all atc shear Ar_visc_no_atoms.mat
			# ID part keywords nx ny nz region periodicity
			fix_modify AtC mesh create 12 1 1 atcRegion f p p
			# add nodesets
			# ID mesh create_nodeset tag xmin xmax ymin ymax zmin zmax
			fix_modify AtC mesh create_nodeset rbc 19.2 19.3 -INF INF -INF INF
			fix_modify AtC mesh create_nodeset lbc -6.3 -6.2 -INF INF -INF INF
			fix_modify AtC fix velocity x all 0.
			fix_modify AtC initial velocity y all 0.
			fix_modify AtC fix velocity z all 0.

			# turn on kinetostat
			reset_timestep 0
			fix_modify AtC reset_time
			fix_modify AtC fix velocity y rbc 0.1
			fix_modify AtC fix velocity y lbc 0.

			# ouput commands
			fix_modify AtC output shear_no_atomsFE 200 text binary
			# set-up non-equilibrium IC
			thermo 100
			run 5000