energy.plane.in
e3eb61765260lammm-master-deprecated

energy.plane.in
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			units lj
			dimension 2

			read_data plane.data

			fix step all nve
			fix twod all enforce2d

			pair_style lj/smooth/linear 2.5
			pair_coeff * * 1.0 1.0
			pair_modify shift yes

			timestep 0.0005

			variable t equal time
			variable U equal pe
			variable K equal ke
			variable E equal "v_U + v_K"

			fix therm all print 25000 "$t $U $K $E" file thermo.plane.dat screen no

			dump traj all custom 1000000 dump.plane.gz id type x y z

			thermo_style custom time step temp pe ke etotal
			thermo 10000
			run ${STEPS}