Action_Thermostats
Add_SelectAtomByNameAction
Adding_Graph_to_ChangeBondActions
Adding_MD_integration_tests
Adding_StructOpt_integration_tests
AutomationFragmentation_failures
Candidate_v1.6.1
ChemicalSpaceEvaluator
EmpiricalPotential_contain_HomologyGraph_documentation
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
Gui_displays_atomic_force_velocity
IndependentFragmentGrids_IntegrationTest
JobMarket_RobustOnKillsSegFaults
JobMarket_StableWorkerPool
PythonUI_with_named_parameters
Recreated_GuiChecks
StoppableMakroAction
TremoloParser_IncreasedPrecision
TremoloParser_MultipleTimesteps
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Last change
on this file since 3f6aac 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 8.35684 1.92717 6.65103
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| 4 | H 6.63234 2.36823 6.65103
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| 5 | H 7.80647 3.36711 7.54093
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| 6 | H 8.88759 4.00235 5.4017
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| 7 | H 7.1631 4.44342 5.40171
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| 8 | H 7.80645 3.36705 3.26256
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| 9 | H 8.35682 1.92714 4.15253
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| 10 | H 6.63233 2.3682 4.15254
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| 11 | C 7.65052 2.75737 6.65102
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| 12 | C 7.86942 3.61321 5.40172
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| 13 | C 7.65051 2.75734 4.15253
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