source: tests/Fragmentations/Analyzing/heptan/pre/BondFragment11/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: 899 bytes
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 0.000000e+00 0.000000e+00 0.000000e+00
30.000000e+00 0.000000e+00 1.249246e+00 0.000000e+00 0.000000e+00 -4.002689e-03 2.204460e-03 -8.853962e-04
40.000000e+00 0.000000e+00 1.249246e+00 0.000000e+00 0.000000e+00 -4.002689e-03 2.204460e-03 8.853962e-04
50.000000e+00 2.000000e+00 0.000000e+00 8.833000e-01 0.000000e+00 4.002723e-03 -2.204664e-03 8.853687e-04
60.000000e+00 2.000000e+00 0.000000e+00 8.833000e-01 0.000000e+00 4.002723e-03 -2.204664e-03 -8.853687e-04
70.000000e+00 2.000000e+00 0.000000e+00 8.833000e-01 0.000000e+00 3.119870e-03 -3.458805e-03 0.000000e+00
80.000000e+00 0.000000e+00 1.249246e+00 0.000000e+00 0.000000e+00 -3.196899e-03 2.249768e-03 0.000000e+00
90.000000e+00 1.000000e+00 0.000000e+00 8.833000e-01 0.000000e+00 3.194677e-03 -2.250752e-03 0.000000e+00
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