Action_Thermostats
Adding_Graph_to_ChangeBondActions
Adding_MD_integration_tests
Adding_StructOpt_integration_tests
AutomationFragmentation_failures
Candidate_v1.6.1
ChemicalSpaceEvaluator
Enhanced_StructuralOptimization
Enhanced_StructuralOptimization_continued
Exclude_Hydrogens_annealWithBondGraph
Fix_Verbose_Codepatterns
ForceAnnealing_with_BondGraph
ForceAnnealing_with_BondGraph_continued
ForceAnnealing_with_BondGraph_continued_betteresults
ForceAnnealing_with_BondGraph_contraction-expansion
Gui_displays_atomic_force_velocity
JobMarket_RobustOnKillsSegFaults
JobMarket_StableWorkerPool
PythonUI_with_named_parameters
Recreated_GuiChecks
StoppableMakroAction
TremoloParser_IncreasedPrecision
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Last change
on this file since d1134d 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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File size:
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| 2 | Created by molecuilder on Fri Aug 6 15:40:35 2010
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| 3 | H 9.42281 2.64589 4.78517
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| 4 | H 7.64281 2.64592 4.78517
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| 5 | H 8.53283 3.90457 5.67506
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| 6 | H 9.42284 4.78788 3.53584
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| 7 | H 7.64284 4.7879 3.53584
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| 8 | H 8.53283 3.90451 1.39669
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| 9 | H 9.42281 2.64586 2.28667
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| 10 | H 7.64281 2.64589 2.28667
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| 11 | C 8.53282 3.27521 4.78516
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| 12 | C 8.53283 4.15859 3.53585
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| 13 | C 8.53282 3.27517 2.28666
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