# Plot of mean 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 6.274318e-03 0.000000e+00 0.000000e+00 2 6 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 4.601538e-03 0.000000e+00 0.000000e+00 3 5 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 1.551759e-03 0.000000e+00 0.000000e+00 4 4 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 1.456197e-03 0.000000e+00 0.000000e+00