source: tests/regression/Fragmentation/FragmentMolecule/post/BondFragmentForces-Factors.dat@ 866dec

AutomationFragmentation_failures Candidate_v1.6.1 ChemicalSpaceEvaluator Enhanced_StructuralOptimization_continued Exclude_Hydrogens_annealWithBondGraph ForceAnnealing_with_BondGraph ForceAnnealing_with_BondGraph_contraction-expansion Gui_displays_atomic_force_velocity PythonUI_with_named_parameters StoppableMakroAction TremoloParser_IncreasedPrecision
Last change on this file since 866dec was 7811bf, checked in by Frederik Heber <heber@…>, 14 years ago

Changed regression testsuite structure of Fragmentation.

  • all numbered test cases now have meaningful names.
  • renamed token of FragmentMoleculeAction: fragment-mol -> fragment-molecule.
  • removed test case 1 where test.conf is checked, this is made sure elswhere.
  • Property mode set to 100644
File size: 75 bytes
Line 
10 1 -1 2 8
2-1 3 4 -1 9
3-1 5 6 7 10
40 1 2 -1 3 4 8 9
53 4 -1 5 6 7 9 10
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