Action_Thermostats
Add_AtomRandomPerturbation
Add_SelectAtomByNameAction
Adding_Graph_to_ChangeBondActions
Adding_MD_integration_tests
Adding_StructOpt_integration_tests
AutomationFragmentation_failures
Candidate_v1.6.1
ChangeBugEmailaddress
ChemicalSpaceEvaluator
Docu_Python_wait
EmpiricalPotential_contain_HomologyGraph_documentation
Enhance_userguide
Enhanced_StructuralOptimization
Enhanced_StructuralOptimization_continued
Example_ManyWaysToTranslateAtom
Exclude_Hydrogens_annealWithBondGraph
Fix_StatusMsg
Fix_StepWorldTime_single_argument
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
QtGui_reactivate_TimeChanged_changes
Recreated_GuiChecks
RotateToPrincipalAxisSystem_UndoRedo
StoppableMakroAction
TremoloParser_IncreasedPrecision
TremoloParser_MultipleTimesteps
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Last change
on this file since 536b13 was 967b3c, checked in by Frederik Heber <heber@…>, 14 years ago |
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Changed regression testsuite structure of Molecules.
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| 2 | Created by molecuilder on Fri Aug 6 15:40:35 2010
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| 3 | H 2.64589 -9.42281 4.78517
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| 4 | H 2.64592 -7.64281 4.78517
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| 5 | H 3.90457 -8.53283 5.67506
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| 6 | H 4.78788 -9.42284 3.53584
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| 7 | H 4.7879 -7.64284 3.53584
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| 8 | H 3.90451 -8.53283 1.39669
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| 9 | H 2.64586 -9.42281 2.28667
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| 10 | H 2.64589 -7.64281 2.28667
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| 11 | C 3.27521 -8.53282 4.78516
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| 12 | C 4.15859 -8.53283 3.53585
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| 13 | C 3.27517 -8.53282 2.28666
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