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 d72064, checked in by Frederik Heber <heber@…>, 9 years ago |
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TESTS: Trimmed down PopMoleculesSelection regression test.
- this should speed up testing with debug enabled.
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Property mode
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File size:
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| 2 | Created by molecuilder on Tue Feb 9 01:04:11 2016, time step 0
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| 4 | H 0.758602 0 6.72285
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| 5 | H 0.758602 0 5.71429
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| 6 | O 0 2.85714 0.504284
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| 7 | H 0.758602 2.85714 1.00857
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| 8 | H 0.758602 2.85714 0
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