in.compute_bond-003
e7e5ba4e4688lammps-icms

in.compute_bond-003
View Options


			atom_style bond
			timer off
			read_data compute_bond.data

			pair_style lj/cut 5.0
			bond_style hybrid harmonic morse

			pair_coeff * * 1.0 1.0
			bond_coeff 1 harmonic 1.0 1.0
			bond_coeff 2 morse 1.0 2.0 1.0

			compute 1 all bond

			thermo_style custom step etotal epair ebond c_1[1] c_1[2]

			run 0 post no