source: tests/Fragmentations/Analyzing/heptan/pre/BondFragment06/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: 580 bytes
Line 
1Type No Pos0 Pos1 Pos2 Total0 Total1 Total2
20.000000e+00 0.000000e+00 3.389955e+00 3.758700e+00 2.500000e+00 -1.630700e-06 2.944343e-03 -4.165832e-03
30.000000e+00 1.000000e+00 3.389955e+00 3.758700e+00 4.280000e+00 -1.630700e-06 2.944343e-03 4.165832e-03
40.000000e+00 2.000000e+00 4.279955e+00 2.500000e+00 3.390000e+00 4.189300e-03 -2.973736e-03 0.000000e+00
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 3.389955e+00 3.129400e+00 3.390000e+00 -3.242490e-05 3.115700e-05 0.000000e+00
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