lj_bonds.neigh_dyn.in
4d96e85601aelammm-master-deprecated

lj_bonds.neigh_dyn.in
View Options

			package gpu force/neigh 0 0 -1
			units lj
			atom_style molecular
			newton off

			pair_style lj/cut/gpu 2.5
			bond_style harmonic

			read_data lj_bonds.data

			pair_coeff 1 1 1.0 1.0 2.5
			bond_coeff 1 80.0 1.2
			special_bonds lj 0.2 0.5 0.9

			neighbor 0.3 bin
			neigh_modify delay 0 every 20 check no

			fix 1 all nve

			timestep 0.003
			thermo 100
			run 400