source: tests/Fragmentations/Analyzing/heptan/pre/BondFragment04/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: 581 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 1.000000e+00 3.389977e+00 2.500000e+00 4.280000e+00 -1.169700e-06 -2.942341e-03 4.166011e-03
40.000000e+00 2.000000e+00 3.389977e+00 2.500000e+00 2.500000e+00 -1.169700e-06 -2.942341e-03 -4.166011e-03
50.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00
61.000000e+00 0.000000e+00 3.389977e+00 3.129300e+00 3.390000e+00 2.559100e-06 -2.541200e-06 0.000000e+00
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