eam_hyb.gpu.in
67362186addflammm-master-deprecated

eam_hyb.gpu.in
View Options

			# bulk Cu lattice
			newton off
			package gpu force 0 0 1

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

			variable xx equal 2*$x
			variable yy equal 2*$y
			variable zz equal 2*$z

			units metal
			atom_style atomic

			lattice fcc 5
			region box block 0 ${xx} 0 ${yy} 0 ${zz}
			create_box 2 box
			create_atoms 1 box
			set group all type/fraction 2 0.5 95392
			mass 2 12

			pair_style hybrid eam/gpu lj/cut 11
			pair_coeff 1 1 eam/gpu Cu_u3.eam
			pair_coeff 1 2 lj/cut 0 3.2
			pair_coeff 2 2 lj/cut 0 3.2

			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 200