source: tests/Fragmentations/Analyzing/heptan/pre/BondFragment19/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 7.368690e-05 -2.293670e-05 6.923240e-05
30.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 7.368690e-05 -2.293670e-05 -6.923240e-05
40.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 1.183055e-04 7.718470e-05 3.749920e-05
50.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 1.183055e-04 7.718470e-05 -3.749920e-05
60.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00
70.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 -7.368530e-05 2.291860e-05 -6.922230e-05
80.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 -7.368530e-05 2.291860e-05 6.922230e-05
90.000000e+00 2.000000e+00 1.249224e+00 0.000000e+00 0.000000e+00 -1.182595e-04 -7.720220e-05 3.750410e-05
100.000000e+00 2.000000e+00 1.249224e+00 0.000000e+00 0.000000e+00 -1.182595e-04 -7.720220e-05 -3.750410e-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 6.601713e-04 -3.030851e-04 0.000000e+00
130.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 1.174990e-03 4.764730e-04 0.000000e+00
140.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 -6.600653e-04 3.031129e-04 0.000000e+00
150.000000e+00 1.000000e+00 1.249224e+00 0.000000e+00 0.000000e+00 -1.175477e-03 -4.771329e-04 0.000000e+00
Note: See TracBrowser for help on using the repository browser.