source: tests/Fragmentations/Analyzing/heptan/pre/BondFragment18/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
Line 
1Type No Pos0 Pos1 Pos2 Total0 Total1 Total2
20.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 -7.368710e-05 -2.293660e-05 6.923220e-05
30.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 -7.368710e-05 -2.293660e-05 -6.923220e-05
40.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 7.368520e-05 2.291850e-05 6.922230e-05
50.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 7.368520e-05 2.291850e-05 -6.922230e-05
60.000000e+00 -1.000000e+00 1.249276e+00 0.000000e+00 0.000000e+00 -1.183051e-04 7.718480e-05 -3.749890e-05
70.000000e+00 -1.000000e+00 1.249276e+00 0.000000e+00 0.000000e+00 -1.183051e-04 7.718480e-05 3.749890e-05
80.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00
90.000000e+00 2.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 1.182596e-04 -7.720230e-05 -3.750400e-05
100.000000e+00 2.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 1.182596e-04 -7.720230e-05 3.750400e-05
110.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00
120.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 -6.601687e-04 -3.030868e-04 0.000000e+00
130.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 6.600643e-04 3.031141e-04 0.000000e+00
140.000000e+00 0.000000e+00 1.249276e+00 0.000000e+00 0.000000e+00 -1.174995e-03 4.764787e-04 0.000000e+00
150.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 1.175477e-03 -4.771328e-04 0.000000e+00
Note: See TracBrowser for help on using the repository browser.