# Plot of min error between approximated forces and full forces versus the Bond Order, created on Thu Sep 15 16:01:58 2011 # Order Frag.No. Type No Pos0 Pos1 Pos2 Total0 Total1 Total2 1 7 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 -3.807367e-03 -2.268296e-03 -5.981896e-04 2 6 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 -1.952943e-04 -6.366520e-05 -2.871521e-04 3 5 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 3.703762e-04 -3.429760e-05 0.000000e+00 4 4 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 1.488309e-04 9.583940e-05 0.000000e+00