source: tests/Fragmentations/Analyzing/heptan/pre/BondFragment16/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 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 8.601402e-04 1.492956e-04 -5.619529e-04
40.000000e+00 0.000000e+00 1.249246e+00 0.000000e+00 0.000000e+00 8.601402e-04 1.492956e-04 5.619529e-04
50.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 -1.400000e-09 -7.514021e-04 5.596704e-04
60.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 -1.400000e-09 -7.514021e-04 -5.596704e-04
70.000000e+00 2.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 -8.599263e-04 1.493534e-04 -5.617488e-04
80.000000e+00 2.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 -8.599263e-04 1.493534e-04 5.617488e-04
90.000000e+00 2.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 1.159798e-03 -4.415300e-04 0.000000e+00
100.000000e+00 0.000000e+00 1.249246e+00 0.000000e+00 0.000000e+00 -2.642577e-03 6.243633e-03 0.000000e+00
110.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 4.116000e-07 -3.780863e-03 0.000000e+00
120.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 2.639077e-03 6.241253e-03 0.000000e+00
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