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
EmpiricalPotential_contain_HomologyGraph_documentation
Enhance_userguide
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
GeometryObjects
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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1 | 11
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2 | Created by molecuilder on Fri Oct 14 14:04:02 2011, time step 0
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3 | H 9.78209 2.64589 2.64589
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4 | H 9.78209 2.64589 4.42589
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5 | H 10.672 3.90454 3.53589
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6 | H 8.53279 4.78789 2.64589
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7 | H 8.53279 4.78789 4.42589
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8 | H 6.39363 3.90454 3.53589
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9 | H 7.28359 2.64589 2.64589
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10 | H 7.28359 2.64589 4.42589
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11 | C 9.78209 3.27519 3.53589
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12 | C 8.53279 4.15859 3.53589
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13 | C 7.28359 3.27519 3.53589
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