diff --git a/examples/neuronet_test/dump.out.REFERENCE b/examples/neuronet_test/dump.out.REFERENCE new file mode 100644 index 000000000..4c306285e --- /dev/null +++ b/examples/neuronet_test/dump.out.REFERENCE @@ -0,0 +1,24 @@ +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