source: tests/Fragmentations/Analyzing/heptan/pre/BondFragment21/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: 1.5 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 1.181930e-04 -7.721590e-05 3.748260e-05
30.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 1.181930e-04 -7.721590e-05 -3.748260e-05
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 7.368680e-05 2.292720e-05 -6.919850e-05
60.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 7.368680e-05 2.292720e-05 6.919850e-05
70.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 -7.369140e-05 -2.292740e-05 6.919380e-05
80.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 -7.369140e-05 -2.292740e-05 -6.919380e-05
90.000000e+00 2.000000e+00 1.249200e+00 0.000000e+00 0.000000e+00 -1.181988e-04 7.721110e-05 -3.747800e-05
100.000000e+00 2.000000e+00 1.249200e+00 0.000000e+00 0.000000e+00 -1.181988e-04 7.721110e-05 3.747800e-05
110.000000e+00 2.000000e+00 1.249200e+00 0.000000e+00 0.000000e+00 -2.215449e-04 -1.301374e-04 0.000000e+00
120.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 1.175569e-03 -4.774234e-04 0.000000e+00
130.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 6.599341e-04 3.033036e-04 0.000000e+00
140.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 -6.599253e-04 -3.033301e-04 0.000000e+00
150.000000e+00 1.000000e+00 1.249200e+00 0.000000e+00 0.000000e+00 -1.175584e-03 4.775104e-04 0.000000e+00
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