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 4782599, checked in by Frederik Heber <heber@…>, 14 years ago |
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FIX: new regression test for PrincipalAxisSystemAction is prone to numerical instability.
- if we test for 0, 1e-17 is not a match ...
- renamed former subfolder 5 to PrincipalAxisSystem according to new naming
scheme.
- Action also now solves for the eigen system of the 3x3 inertia tensor and
prints eigenvalues.
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Property mode
set to
100644
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File size:
107 bytes
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| 1 | 3
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| 2 | Created by molecuilder on Thu Dec 30 10:10:30 2010
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| 3 | O 0 0 0
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| 4 | H 0.758602 0 0.504284
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| 5 | H 0.758602 0 -0.504284
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