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 3b74fa 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 7.62252 2.30693 2.64589
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| 4 | H 7.62252 2.30693 4.42589
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| 5 | H 8.88117 1.41702 3.53589
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| 6 | H 9.76452 3.55623 2.64589
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| 7 | H 9.76452 3.55623 4.42589
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| 8 | H 8.88117 5.69539 3.53589
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| 9 | H 7.62252 4.80543 2.64589
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| 10 | H 7.62252 4.80543 4.42589
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| 11 | C 8.25182 2.30693 3.53589
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| 12 | C 9.13522 3.55623 3.53589
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| 13 | C 8.25182 4.80543 3.53589
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