source: tests/Fragmentations/Analyzing/heptan/pre/BondFragment14/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
Line 
1Type No Pos0 Pos1 Pos2 Total0 Total1 Total2
20.000000e+00 0.000000e+00 1.249276e+00 0.000000e+00 0.000000e+00 8.599285e-04 -1.493702e-04 -5.617378e-04
30.000000e+00 0.000000e+00 1.249276e+00 0.000000e+00 0.000000e+00 8.599285e-04 -1.493702e-04 5.617378e-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 -8.833492e-01 0.000000e+00 1.850000e-08 7.514009e-04 -5.596664e-04
60.000000e+00 0.000000e+00 0.000000e+00 -8.833492e-01 0.000000e+00 1.850000e-08 7.514009e-04 5.596664e-04
70.000000e+00 2.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 -8.601860e-04 -1.493094e-04 5.619333e-04
80.000000e+00 2.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 -8.601860e-04 -1.493094e-04 -5.619333e-04
90.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00
100.000000e+00 0.000000e+00 1.249276e+00 0.000000e+00 0.000000e+00 -2.639134e-03 -6.241400e-03 0.000000e+00
110.000000e+00 0.000000e+00 0.000000e+00 -8.833492e-01 0.000000e+00 -4.754000e-07 3.781012e-03 0.000000e+00
120.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 2.642674e-03 -6.243931e-03 0.000000e+00
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