source: tests/regression/Fragmentation/FragmentMolecule/post/BondFragmentForces-Factors.dat@ 23ad4f

Action_Thermostats Add_AtomRandomPerturbation Add_RotateAroundBondAction Add_SelectAtomByNameAction Adding_Graph_to_ChangeBondActions Adding_MD_integration_tests Adding_StructOpt_integration_tests AutomationFragmentation_failures Candidate_v1.6.1 ChangeBugEmailaddress ChangingTestPorts ChemicalSpaceEvaluator Docu_Python_wait EmpiricalPotential_contain_HomologyGraph_documentation Enhance_userguide Enhanced_StructuralOptimization Enhanced_StructuralOptimization_continued Example_ManyWaysToTranslateAtom Exclude_Hydrogens_annealWithBondGraph Fix_ChronosMutex Fix_StatusMsg Fix_StepWorldTime_single_argument Fix_Verbose_Codepatterns ForceAnnealing_goodresults ForceAnnealing_oldresults ForceAnnealing_tocheck ForceAnnealing_with_BondGraph ForceAnnealing_with_BondGraph_continued ForceAnnealing_with_BondGraph_continued_betteresults ForceAnnealing_with_BondGraph_contraction-expansion GeometryObjects Gui_displays_atomic_force_velocity IndependentFragmentGrids_IntegrationTest JobMarket_RobustOnKillsSegFaults JobMarket_StableWorkerPool PythonUI_with_named_parameters QtGui_reactivate_TimeChanged_changes Recreated_GuiChecks RotateToPrincipalAxisSystem_UndoRedo StoppableMakroAction TremoloParser_IncreasedPrecision TremoloParser_MultipleTimesteps Ubuntu_1604_changes
Last change on this file since 23ad4f 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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