source: tests/Fragmentations/Analyzing/heptan/pre/BondFragment20/pcp.forcefragment.all@ 88bb6b

Last change on this file since 88bb6b was 878044, checked in by Frederik Heber <heber@…>, 15 years ago

Added (simple) regression tests for joiner and analyzer for heptan.

  • Property mode set to 100644
File size: 1.5 KB
Line 
1Type No Pos0 Pos1 Pos2 Total0 Total1 Total2
20.000000e+00 0.000000e+00 1.249246e+00 0.000000e+00 0.000000e+00 -1.181922e-04 -7.721720e-05 3.748270e-05
30.000000e+00 0.000000e+00 1.249246e+00 0.000000e+00 0.000000e+00 -1.181922e-04 -7.721720e-05 -3.748270e-05
40.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00
50.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 -7.368810e-05 2.292760e-05 6.919890e-05
60.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 -7.368810e-05 2.292760e-05 -6.919890e-05
70.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 7.369250e-05 -2.292870e-05 -6.919460e-05
80.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 7.369250e-05 -2.292870e-05 6.919460e-05
90.000000e+00 2.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 1.182000e-04 7.721160e-05 3.747820e-05
100.000000e+00 2.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 1.182000e-04 7.721160e-05 -3.747820e-05
110.000000e+00 2.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 2.215453e-04 -1.301370e-04 0.000000e+00
120.000000e+00 0.000000e+00 1.249246e+00 0.000000e+00 0.000000e+00 -1.175596e-03 -4.774528e-04 0.000000e+00
130.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 -6.599311e-04 3.033122e-04 0.000000e+00
140.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 6.599288e-04 -3.033376e-04 0.000000e+00
150.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 1.175587e-03 4.775076e-04 0.000000e+00
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