source: tests/Fragmentations/Analyzing/heptan/pre/BondFragment15/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
RevLine 
[878044]1Type No Pos0 Pos1 Pos2 Total0 Total1 Total2
20.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 -8.599278e-04 -1.493700e-04 -5.617368e-04
30.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 -8.599278e-04 -1.493700e-04 5.617368e-04
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 -8.833492e-01 0.000000e+00 -1.860000e-08 7.514015e-04 5.596661e-04
60.000000e+00 0.000000e+00 0.000000e+00 -8.833492e-01 0.000000e+00 -1.860000e-08 7.514015e-04 -5.596661e-04
70.000000e+00 2.000000e+00 1.249200e+00 0.000000e+00 0.000000e+00 8.601858e-04 -1.493101e-04 -5.619337e-04
80.000000e+00 2.000000e+00 1.249200e+00 0.000000e+00 0.000000e+00 8.601858e-04 -1.493101e-04 5.619337e-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 2.639115e-03 -6.241382e-03 0.000000e+00
110.000000e+00 0.000000e+00 0.000000e+00 -8.833492e-01 0.000000e+00 4.809000e-07 3.781009e-03 0.000000e+00
120.000000e+00 1.000000e+00 1.249200e+00 0.000000e+00 0.000000e+00 -2.642677e-03 -6.243931e-03 0.000000e+00
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