eam.neigh.in
86b6a0044923lammm-master-deprecated

eam.neigh.in
View Options

			# Cu ring

			newton off

			package gpu force/neigh 0 0 1

			units metal
			boundary p p p

			atom_style atomic

			read_data ring.data

			mass 1 12.0107

			pair_style eam/gpu
			pair_coeff * * ../potentials/Cu_u3.eam
			pair_modify shift yes

			group particles type 1

			velocity particles create 1500 102932

			fix 1 particles nve

			neighbor 5.0 bin
			neigh_modify delay 0 every 20 check no

			thermo 10

			thermo_style custom step pe etotal temp press

			timestep 0.001

			run 100