source: tests/regression/Graph/CreateAdjacency/pre/ethane.xyz@ 3f6aac

Action_Thermostats Add_SelectAtomByNameAction Adding_Graph_to_ChangeBondActions Adding_MD_integration_tests Adding_StructOpt_integration_tests AutomationFragmentation_failures Candidate_v1.6.1 ChemicalSpaceEvaluator EmpiricalPotential_contain_HomologyGraph_documentation Enhanced_StructuralOptimization Enhanced_StructuralOptimization_continued Example_ManyWaysToTranslateAtom Exclude_Hydrogens_annealWithBondGraph Fix_Verbose_Codepatterns ForceAnnealing_oldresults ForceAnnealing_with_BondGraph ForceAnnealing_with_BondGraph_continued ForceAnnealing_with_BondGraph_continued_betteresults ForceAnnealing_with_BondGraph_contraction-expansion Gui_displays_atomic_force_velocity IndependentFragmentGrids_IntegrationTest JobMarket_RobustOnKillsSegFaults JobMarket_StableWorkerPool PythonUI_with_named_parameters Recreated_GuiChecks StoppableMakroAction TremoloParser_IncreasedPrecision TremoloParser_MultipleTimesteps
Last change on this file since 3f6aac was 055ad7, checked in by Frederik Heber <heber@…>, 12 years ago

Added Undo/Redo functionality to CreateAdjacencyAction.

  • also added regression test on whole functionality.
  • Property mode set to 100644
File size: 237 bytes
Line 
18
2 Created by molecuilder on Fri Mar 1 19:45:11 2013, time step 0
3C 3.125 10.442 10.000
4C 4.374 9.559 10.000
5H 3.125 11.071 9.110
6H 3.125 11.071 10.890
7H 4.374 8.929 9.110
8H 4.374 8.929 10.890
9H 2.235 9.813 10.000
10H 5.264 10.188 10.000
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