Adding_MD_integration_tests
Adding_StructOpt_integration_tests
AutomationFragmentation_failures
Candidate_v1.6.1
Candidate_v1.7.0
ChemicalSpaceEvaluator
Enhanced_StructuralOptimization
Enhanced_StructuralOptimization_continued
Exclude_Hydrogens_annealWithBondGraph
ForceAnnealing_with_BondGraph
ForceAnnealing_with_BondGraph_contraction-expansion
Gui_displays_atomic_force_velocity
JobMarket_RobustOnKillsSegFaults
JobMarket_StableWorkerPool
PythonUI_with_named_parameters
StoppableMakroAction
TremoloParser_IncreasedPrecision
stable
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Last change
on this file since 37fe17 was c52e08, checked in by Frederik Heber <heber@…>, 14 years ago |
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Added new action SetBoundaryConditionsAction.
- Added new getConditionNames and setConditions(string) to Box to ensure that
Observer mechanism is called when conditions are changed.
- added two regression tests:
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-
Property mode
set to
100644
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File size:
110 bytes
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| Rev | Line | |
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| [c52e08] | 1 | 3
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| 2 | Created by molecuilder for select-atoms-molecules test
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| 3 | O 0 0 0.495716
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| 4 | H 0.758602 0 0.00857
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| 5 | H 0.758602 0 1.
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