source: tests/Fragmentations/Joining/heptan/post/BondFragment13/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: 1.2 KB
Line 
1Type No Pos0 Pos1 Pos2 Total0 Total1 Total2
20.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 -7.515730e-04 -5.597603e-04
30.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 -7.515730e-04 5.597603e-04
40.000000e+00 -1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 -8.601047e-04 1.494944e-04 -5.617930e-04
50.000000e+00 -1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 -8.601047e-04 1.494944e-04 5.617930e-04
60.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00
70.000000e+00 2.000000e+00 1.249224e+00 0.000000e+00 0.000000e+00 8.601047e-04 1.494944e-04 5.617930e-04
80.000000e+00 2.000000e+00 1.249224e+00 0.000000e+00 0.000000e+00 8.601047e-04 1.494944e-04 -5.617930e-04
90.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00
100.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 -4.000000e-10 -3.781778e-03 0.000000e+00
110.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 2.643835e-03 6.244583e-03 0.000000e+00
120.000000e+00 1.000000e+00 1.249224e+00 0.000000e+00 0.000000e+00 -2.643835e-03 6.244583e-03 0.000000e+00
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