source: tests/Fragmentations/Analyzing/heptan/pre/BondFragment12/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: 900 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 0.000000e+00 0.000000e+00 0.000000e+00 4.002604e-03 2.204393e-03 8.853930e-04
40.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 4.002604e-03 2.204393e-03 -8.853930e-04
50.000000e+00 3.000000e+00 1.249227e+00 8.833000e-01 0.000000e+00 -4.002638e-03 -2.204596e-03 -8.853655e-04
60.000000e+00 3.000000e+00 1.249227e+00 8.833000e-01 0.000000e+00 -4.002638e-03 -2.204596e-03 8.853655e-04
70.000000e+00 3.000000e+00 1.249227e+00 8.833000e-01 0.000000e+00 -3.119728e-03 -3.458676e-03 0.000000e+00
80.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 3.195550e-03 2.249072e-03 0.000000e+00
90.000000e+00 1.000000e+00 1.249227e+00 8.833000e-01 0.000000e+00 -3.193327e-03 -2.250055e-03 0.000000e+00
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