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 23b0c2, checked in by Frederik Heber <heber@…>, 14 years ago |
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Restructured test*.at files: 3-step-rule.
- three-step rule: setup, test, cleanup is now each separated by empty line.
- test file name is (most of the time) placed into variable $file.
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Property mode
set to
100644
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File size:
165 bytes
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| 1 | 6
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| 2 | Created by molecuilder for select-molecules-atoms test
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| 3 | O 0 0 0.504284
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| 4 | H 0.758602 0 1.00857
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| 5 | H 0.758602 0 0
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| 6 | O 0 0 3.36143
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| 7 | H 0.758602 0 3.86571
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| 8 | H 0.758602 0 2.85714
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