source: tests/Fragmentations/Analyzing/heptan/pre/BondFragment17/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 -8.601323e-04 1.492910e-04 5.619500e-04
30.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 -8.601323e-04 1.492910e-04 -5.619500e-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 0.000000e+00 0.000000e+00 7.000000e-10 -7.513966e-04 -5.596660e-04
60.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 7.000000e-10 -7.513966e-04 5.596660e-04
70.000000e+00 2.000000e+00 1.249276e+00 0.000000e+00 0.000000e+00 8.599288e-04 1.493463e-04 5.617537e-04
80.000000e+00 2.000000e+00 1.249276e+00 0.000000e+00 0.000000e+00 8.599288e-04 1.493463e-04 -5.617537e-04
90.000000e+00 2.000000e+00 1.249276e+00 0.000000e+00 0.000000e+00 -1.159796e-03 -4.415382e-04 0.000000e+00
100.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 2.642373e-03 6.243487e-03 0.000000e+00
110.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 -3.932000e-07 -3.780825e-03 0.000000e+00
120.000000e+00 1.000000e+00 1.249276e+00 0.000000e+00 0.000000e+00 -2.639014e-03 6.241208e-03 0.000000e+00
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