Diffusion lammps (efficient_neuronet) Browse

lammps/examples/cneuronet_test/dump.out.REFERENCE
8ae62e8d043befficient_neuronet

dump.out.REFERENCE
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			ITEM: TIMESTEP
			0
			ITEM: NUMBER OF ATOMS
			3
			ITEM: BOX BOUNDS pp pp pp
			0.0000000000000000e+00 1.2000000000000000e+01
			0.0000000000000000e+00 1.2000000000000000e+01
			0.0000000000000000e+00 1.2000000000000000e+01
			ITEM: ATOMS id xs ys zs fx fy fz
			1 0 0 0 -0.169302 0.038219 -0.207521
			2 0.25 0.25 0 -0.038219 -0.253563 0.215344
			3 0.25 0 0.25 0.207521 0.215344 -0.00782258
			ITEM: TIMESTEP
			1
			ITEM: NUMBER OF ATOMS
			3
			ITEM: BOX BOUNDS pp pp pp
			0.0000000000000000e+00 1.2000000000000000e+01
			0.0000000000000000e+00 1.2000000000000000e+01
			0.0000000000000000e+00 1.2000000000000000e+01
			ITEM: ATOMS id xs ys zs fx fy fz
			1 -6.80632e-05 1.53649e-05 -8.34281e-05 -0.167912 0.0380914 -0.206003
			2 0.249985 0.249898 8.6573e-05 -0.0380902 -0.255163 0.217073
			3 0.250083 8.6573e-05 0.249997 0.206002 0.217072 -0.0110701