eam_alloy.gpu.in
922a9d172d1eefficient_neuronet

eam_alloy.gpu.in
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			# bulk Cu lattice

			package gpu force/neigh 0 0 1
			newton off

			variable x index 1
			variable y index 1
			variable z index 1

			variable xx equal 20*$x
			variable yy equal 20*$y
			variable zz equal 20*$z

			units metal
			atom_style atomic

			lattice fcc 3.615
			region box block 0 ${xx} 0 ${yy} 0 ${zz}
			create_box 2 box
			create_atoms 1 box

			set type 1 type/fraction 2 0.5 945143

			pair_style eam/alloy/gpu
			pair_coeff * * ../potentials/AlCu.eam.alloy Al Cu

			velocity all create 1600.0 376847 loop geom

			neighbor 1.0 bin
			neigh_modify every 1 delay 5 check yes

			fix 1 all nve

			timestep 0.005
			thermo 50

			run 100