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_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
StoppableMakroAction
TremoloParser_IncreasedPrecision
TremoloParser_MultipleTimesteps
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Last change
on this file since 9f2071 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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| 1 | 11
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| 2 | Created by molecuilder on Fri Aug 6 15:40:35 2010
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| 3 | H 9.8135 2.37271 3.16085
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| 4 | H 9.33431 2.65703 4.85139
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| 5 | H 10.6201 3.64185 4.11314
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| 6 | H 8.96913 4.62097 2.54339
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| 7 | H 8.48994 4.90529 4.23393
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| 8 | H 6.55678 4.15323 2.87536
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| 9 | H 7.44056 2.67134 2.43801
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| 10 | H 6.96137 2.95567 4.12855
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| 11 | C 9.67442 3.13152 3.9309
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| 12 | C 8.62901 4.14648 3.46388
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| 13 | C 7.30149 3.43016 3.20806
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