in.eam.titan
fe73c3e4e31blammps-icms

in.eam.titan
View Options

			# bulk Cu lattice

			newton off
			package gpu force/neigh 0 0 1
			processors * * * grid numa

			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 1 box
			create_atoms 1 box

			pair_style eam/gpu
			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 15
			run 100