# Plot of max 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 -3.600000e-08 -1.030545e-02 0.000000e+00 2 6 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 -3.700000e-08 -1.480738e-02 0.000000e+00 3 5 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 -4.300860e-03 -4.165905e-04 -0.000000e+00 4 4 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 6.800000e-09 3.018230e-03 0.000000e+00