in.eam.gpu
4fea80fecffelammm-master-deprecated

in.eam.gpu
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			# bulk Cu lattice

			# newton off is required for GPU package
			# set variable g = 1/2 for 1/2 GPUs

			newton off
			if "$g == 1" then "package gpu force/neigh 0 0 1"
			if "$g == 2" then "package gpu force/neigh 0 1 1"

			units metal
			atom_style atomic

			lattice fcc 3.615
			region box block 0 $x 0 $y 0 $z
			create_box 1 box
			create_atoms 1 box

			pair_style eam
			pair_coeff 1 1 Cu_u3.eam

			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 $t