#
# ChangeLog for /
#
# Generated by Trac 1.6
# May 25, 2025, 4:52:55 AM

Wed, 28 Dec 2011 15:24:58 GMT Frederik Heber <heber@…> [f99714]
	* LinearAlgebra/configure.ac (modified)
	* configure.ac (modified)

	FIX: Finally correctly implemented all --enable-... switches in ...


Wed, 28 Dec 2011 15:24:58 GMT Frederik Heber <heber@…> [d103d3]
	* src/Actions/Action.cpp (modified)
	* src/Actions/ActionHistory.cpp (modified)
	* src/Actions/ActionRegistry.cpp (modified)
	* src/Actions/ActionSequence.cpp (modified)
	* src/Actions/ActionTrait.cpp (modified)
	* src/Actions/AnalysisAction/CalculateBoundingBoxAction.cpp (modified)
	* src/Actions/AnalysisAction/CalculateCellVolumeAction.cpp (modified)
	* src/Actions/AnalysisAction/CalculateMolarMassAction.cpp (modified)
	* src/Actions/AnalysisAction/DipoleAngularCorrelationAction.cpp (modified)
	* src/Actions/AnalysisAction/DipoleCorrelationAction.cpp (modified)
	* src/Actions/AnalysisAction/MolecularVolumeAction.cpp (modified)
	* src/Actions/AnalysisAction/PairCorrelationAction.cpp (modified)
	* src/Actions/AnalysisAction/PointCorrelationAction.cpp (modified)
	* src/Actions/AnalysisAction/PrincipalAxisSystemAction.cpp (modified)
	* src/Actions/AnalysisAction/SurfaceCorrelationAction.cpp (modified)
	* src/Actions/AtomAction/AddAction.cpp (modified)
	* src/Actions/AtomAction/ChangeElementAction.cpp (modified)
	* src/Actions/AtomAction/RemoveAction.cpp (modified)
	* src/Actions/AtomAction/RotateAroundOriginByAngleAction.cpp (modified)
	* src/Actions/AtomAction/SaveSelectedAtomsAction.cpp (modified)
	* src/Actions/AtomAction/TranslateAction.cpp (modified)
	* src/Actions/CommandAction/BondLengthTableAction.cpp (modified)
	* src/Actions/CommandAction/ElementDbAction.cpp (modified)
	* src/Actions/CommandAction/FastParsingAction.cpp (modified)
	* src/Actions/CommandAction/HelpAction.cpp (modified)
	* src/Actions/CommandAction/VerboseAction.cpp (modified)
	* src/Actions/CommandAction/VersionAction.cpp (modified)
	* src/Actions/CommandAction/WarrantyAction.cpp (modified)
	* src/Actions/ErrorAction.cpp (modified)
	* src/Actions/FragmentationAction/FragmentationAction.cpp (modified)
	* src/Actions/GraphAction/CreateAdjacencyAction.cpp (modified)
	* src/Actions/GraphAction/DepthFirstSearchAction.cpp (modified)
	* src/Actions/GraphAction/SubgraphDissectionAction.cpp (modified)
	* src/Actions/MakroAction.cpp (modified)
	* src/Actions/ManipulateAtomsProcess.cpp (modified)
	* src/Actions/MethodAction.cpp (modified)
	* src/Actions/MoleculeAction/BondFileAction.cpp (modified)
	* src/Actions/MoleculeAction/ChangeNameAction.cpp (modified)
	* src/Actions/MoleculeAction/CopyAction.cpp (modified)
	* src/Actions/MoleculeAction/CreateMicelleAction.cpp (modified)
	* src/Actions/MoleculeAction/FillVoidWithMoleculeAction.cpp (modified)
	* src/Actions/MoleculeAction/FillWithMoleculeAction.cpp (modified)
	* src/Actions/MoleculeAction/LinearInterpolationofTrajectoriesAction.cpp (modified)
	* src/Actions/MoleculeAction/LoadAction.cpp (modified)
	* src/Actions/MoleculeAction/RotateAroundSelfByAngleAction.cpp (modified)
	* src/Actions/MoleculeAction/RotateToPrincipalAxisSystemAction.cpp (modified)
	* src/Actions/MoleculeAction/SaveAdjacencyAction.cpp (modified)
	* src/Actions/MoleculeAction/SaveBondsAction.cpp (modified)
	* src/Actions/MoleculeAction/SaveSelectedMoleculesAction.cpp (modified)
	* src/Actions/MoleculeAction/SaveTemperatureAction.cpp (modified)
	* src/Actions/MoleculeAction/SuspendInWaterAction.cpp (modified)
	* src/Actions/MoleculeAction/VerletIntegrationAction.cpp (modified)
	* src/Actions/OptionRegistry.cpp (modified)
	* src/Actions/OptionTrait.cpp (modified)
	* src/Actions/ParserAction/ParseTremoloPotentialsAction.cpp (modified)
	* src/Actions/ParserAction/SetOutputFormatsAction.cpp (modified)
	* src/Actions/ParserAction/SetParserParametersAction.cpp (modified)
	* src/Actions/ParserAction/SetTremoloAtomdataAction.cpp (modified)
	* src/Actions/Process.cpp (modified)
	* src/Actions/RandomNumbersAction/SetRandomNumbersDistributionAction.cpp (modified)
	* src/Actions/RandomNumbersAction/SetRandomNumbersEngineAction.cpp (modified)
	* src/Actions/RedoAction.cpp (modified)
	* src/Actions/SelectionAction/Atoms/AllAtomsAction.cpp (modified)
	* src/Actions/SelectionAction/Atoms/AllAtomsInsideCuboidAction.cpp (modified)
	* src/Actions/SelectionAction/Atoms/AllAtomsInsideSphereAction.cpp (modified)
	* src/Actions/SelectionAction/Atoms/AllAtomsOfMoleculeAction.cpp (modified)
	* src/Actions/SelectionAction/Atoms/AtomByElementAction.cpp (modified)
	* src/Actions/SelectionAction/Atoms/AtomByIdAction.cpp (modified)
	* src/Actions/SelectionAction/Atoms/ClearAllAtomsAction.cpp (modified)
	* src/Actions/SelectionAction/Atoms/NotAllAtomsAction.cpp (modified)
	* src/Actions/SelectionAction/Atoms/NotAllAtomsInsideCuboidAction.cpp (modified)
	* src/Actions/SelectionAction/Atoms/NotAllAtomsInsideSphereAction.cpp (modified)
	* src/Actions/SelectionAction/Atoms/NotAllAtomsOfMoleculeAction.cpp (modified)
	* src/Actions/SelectionAction/Atoms/NotAtomByElementAction.cpp (modified)
	* src/Actions/SelectionAction/Atoms/NotAtomByIdAction.cpp (modified)
	* src/Actions/SelectionAction/Molecules/AllMoleculesAction.cpp (modified)
	* src/Actions/SelectionAction/Molecules/ClearAllMoleculesAction.cpp (modified)
	* src/Actions/SelectionAction/Molecules/MoleculeByFormulaAction.cpp (modified)
	* src/Actions/SelectionAction/Molecules/MoleculeByIdAction.cpp (modified)
	* src/Actions/SelectionAction/Molecules/MoleculeByNameAction.cpp (modified)
	* src/Actions/SelectionAction/Molecules/MoleculeByOrderAction.cpp (modified)
	* src/Actions/SelectionAction/Molecules/MoleculeOfAtomAction.cpp (modified)
	* src/Actions/SelectionAction/Molecules/NotAllMoleculesAction.cpp (modified)
	* src/Actions/SelectionAction/Molecules/NotMoleculeByFormulaAction.cpp (modified)
	* src/Actions/SelectionAction/Molecules/NotMoleculeByIdAction.cpp (modified)
	* src/Actions/SelectionAction/Molecules/NotMoleculeByNameAction.cpp (modified)
	* src/Actions/SelectionAction/Molecules/NotMoleculeByOrderAction.cpp (modified)
	* src/Actions/SelectionAction/Molecules/NotMoleculeOfAtomAction.cpp (modified)
	* src/Actions/TesselationAction/ConvexEnvelopeAction.cpp (modified)
	* src/Actions/TesselationAction/NonConvexEnvelopeAction.cpp (modified)
	* src/Actions/UndoAction.cpp (modified)
	* src/Actions/ValueStorage.cpp (modified)
	* src/Actions/Values.cpp (modified)
	* src/Actions/WorldAction/AddEmptyBoundaryAction.cpp (modified)
	* src/Actions/WorldAction/BoundInBoxAction.cpp (modified)
	* src/Actions/WorldAction/CenterInBoxAction.cpp (modified)
	* src/Actions/WorldAction/CenterOnEdgeAction.cpp (modified)
	* src/Actions/WorldAction/ChangeBoxAction.cpp (modified)
	* src/Actions/WorldAction/InputAction.cpp (modified)
	* src/Actions/WorldAction/OutputAction.cpp (modified)
	* src/Actions/WorldAction/RepeatBoxAction.cpp (modified)
	* src/Actions/WorldAction/ScaleBoxAction.cpp (modified)
	* src/Actions/WorldAction/SetDefaultNameAction.cpp (modified)
	* src/Actions/WorldAction/SetWorldTimeAction.cpp (modified)
	* src/Actions/pyMoleCuilder.cpp (modified)
	* src/Actions/unittests/ActionRegistryUnitTest.cpp (modified)
	* src/Actions/unittests/ActionSequenceUnitTest.cpp (modified)
	* src/Actions/unittests/AtomsCalculationUnitTest.cpp (modified)
	* src/Actions/unittests/ManipulateAtomsUnitTest.cpp (modified)
	* src/Analysis/analysis_bonds.cpp (modified)
	* src/Analysis/analysis_correlation.cpp (modified)
	* src/Analysis/unittests/AnalysisBondsUnitTest.cpp (modified)
	* src/Analysis/unittests/AnalysisCorrelationToPointUnitTest.cpp (modified)
	* src/Analysis/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified)
	* src/Analysis/unittests/AnalysisPairCorrelationUnitTest.cpp (modified)
	* src/Analysis/unittests/CountBondsUnitTest.cpp (modified)
	* src/AtomicInfo.cpp (modified)
	* src/Bond/GraphEdge.cpp (modified)
	* src/Bond/bond.cpp (modified)
	* src/Box.cpp (modified)
	* src/Descriptors/AtomDescriptor.cpp (modified)
	* src/Descriptors/AtomIdDescriptor.cpp (modified)
	* src/Descriptors/AtomOfMoleculeSelectionDescriptor.cpp (modified)
	* src/Descriptors/AtomSelectionDescriptor.cpp (modified)
	* src/Descriptors/AtomShapeDescriptor.cpp (modified)
	* src/Descriptors/AtomTypeDescriptor.cpp (modified)
	* src/Descriptors/MoleculeDescriptor.cpp (modified)
	* src/Descriptors/MoleculeFormulaDescriptor.cpp (modified)
	* src/Descriptors/MoleculeIdDescriptor.cpp (modified)
	* src/Descriptors/MoleculeNameDescriptor.cpp (modified)
	* src/Descriptors/MoleculeOfAtomSelectionDescriptor.cpp (modified)
	* src/Descriptors/MoleculeOrderDescriptor.cpp (modified)
	* src/Descriptors/MoleculePtrDescriptor.cpp (modified)
	* src/Descriptors/MoleculeSelectionDescriptor.cpp (modified)
	* src/Descriptors/unittests/AtomDescriptorUnitTest.cpp (modified)
	* src/Descriptors/unittests/MoleculeDescriptorUnitTest.cpp (modified)
	* src/Dynamics/MinimiseConstrainedPotential.cpp (modified)
	* src/Element/element.cpp (modified)
	* src/Element/elements_db.cpp (modified)
	* src/Element/periodentafel.cpp (modified)
	* src/Element/unittests/ElementUnitTest.cpp (modified)
	* src/Element/unittests/PeriodentafelUnitTest.cpp (modified)
	* src/Formula.cpp (modified)
	* src/Fragmentation/AdaptivityMap.cpp (modified)
	* src/Fragmentation/BondsPerShortestPath.cpp (modified)
	* src/Fragmentation/EnergyMatrix.cpp (modified)
	* src/Fragmentation/ForceMatrix.cpp (modified)
	* src/Fragmentation/Fragmentation.cpp (modified)
	* src/Fragmentation/Graph.cpp (modified)
	* src/Fragmentation/HessianMatrix.cpp (modified)
	* src/Fragmentation/KeySet.cpp (modified)
	* src/Fragmentation/KeySetsContainer.cpp (modified)
	* src/Fragmentation/MatrixContainer.cpp (modified)
	* src/Fragmentation/PowerSetGenerator.cpp (modified)
	* src/Fragmentation/UniqueFragments.cpp (modified)
	* src/Fragmentation/analyzer.cpp (modified)
	* src/Fragmentation/datacreator.cpp (modified)
	* src/Fragmentation/fragmentation_helpers.cpp (modified)
	* src/Fragmentation/helpers.cpp (modified)
	* src/Fragmentation/joiner.cpp (modified)
	* src/Fragmentation/unittests/KeySetsContainerUnitTest.cpp (modified)
	* src/Fragmentation/unittests/MatrixContainerUnitTest.cpp (modified)
	* src/Graph/BondGraph.cpp (modified)
	* src/Graph/BreadthFirstSearchAdd.cpp (modified)
	* src/Graph/BuildInducedSubgraph.cpp (modified)
	* src/Graph/CheckAgainstAdjacencyFile.cpp (modified)
	* src/Graph/ConnectedSubgraph.cpp (modified)
	* src/Graph/CyclicStructureAnalysis.cpp (modified)
	* src/Graph/DepthFirstSearchAnalysis.cpp (modified)
	* src/Graph/unittests/BondGraphUnitTest.cpp (modified)
	* src/Graph/unittests/CheckAgainstAdjacencyFileUnitTest.cpp (modified)
	* src/Helpers/defs.cpp (modified)
	* src/MoleculeLeafClass.cpp (modified)
	* src/Parser/ChangeTracker.cpp (modified)
	* src/Parser/ConfigFileBuffer.cpp (modified)
	* src/Parser/FormatParserStorage.cpp (modified)
	* src/Parser/FormatParser_Parameters.cpp (modified)
	* src/Parser/FormatParser_common.cpp (modified)
	* src/Parser/MpqcParser.cpp (modified)
	* src/Parser/MpqcParser_Parameters.cpp (modified)
	* src/Parser/MpqcParser_Parameters_initBasis.cpp (modified)
	* src/Parser/Parameters/ParameterStorage.cpp (modified)
	* src/Parser/Parameters/StringParameter.cpp (modified)
	* src/Parser/Parameters/unittests/ContinuousParameterUnitTest.cpp (modified)
	* src/Parser/Parameters/unittests/ContinuousValueUnitTest.cpp (modified)
	* src/Parser/Parameters/unittests/DiscreteParameterUnitTest.cpp (modified)
	* src/Parser/Parameters/unittests/DiscreteValueUnitTest.cpp (modified)
	* src/Parser/Parameters/unittests/ParameterStorageUnitTest.cpp (modified)
	* src/Parser/Parameters/unittests/StringParameterUnitTest.cpp (modified)
	* src/Parser/ParserTypes.cpp (modified)
	* src/Parser/PcpParser.cpp (modified)
	* src/Parser/PcpParser_helper.cpp (modified)
	* src/Parser/PdbAtomInfoContainer.cpp (modified)
	* src/Parser/PdbParser.cpp (modified)
	* src/Parser/Psi3Parser.cpp (modified)
	* src/Parser/Psi3Parser_Parameters.cpp (modified)
	* src/Parser/TremoloAtomInfoContainer.cpp (modified)
	* src/Parser/TremoloParser.cpp (modified)
	* src/Parser/XyzParser.cpp (modified)
	* src/Parser/unittests/ParserMpqcUnitTest.cpp (modified)
	* src/Parser/unittests/ParserPcpUnitTest.cpp (modified)
	* src/Parser/unittests/ParserPdbUnitTest.cpp (modified)
	* src/Parser/unittests/ParserPsi3UnitTest.cpp (modified)
	* src/Parser/unittests/ParserTremoloUnitTest.cpp (modified)
	* src/Parser/unittests/ParserXyzUnitTest.cpp (modified)
	* src/RandomNumbers/RandomNumberDistributionFactory.cpp (modified)
	* src/RandomNumbers/RandomNumberDistribution_Encapsulation.cpp (modified)
	* src/RandomNumbers/RandomNumberDistribution_Parameters.cpp (modified)
	* src/RandomNumbers/RandomNumberEngineFactory.cpp (modified)
	* src/RandomNumbers/RandomNumberEngine_Encapsulation.cpp (modified)
	* src/RandomNumbers/RandomNumberEngine_Parameters.cpp (modified)
	* src/RandomNumbers/RandomNumberGenerator.cpp (modified)
	* src/RandomNumbers/RandomNumberGeneratorFactory.cpp (modified)
	* src/RandomNumbers/unittests/RandomNumberDistributionFactoryUnitTest.cpp (modified)
	* src/RandomNumbers/unittests/RandomNumberEngineFactoryUnitTest.cpp (modified)
	* src/RandomNumbers/unittests/RandomNumberGeneratorFactoryUnitTest.cpp (modified)
	* src/RandomNumbers/unittests/RandomNumberGeneratorUnitTest.cpp (modified)
	* src/Shapes/BaseShapes.cpp (modified)
	* src/Shapes/Shape.cpp (modified)
	* src/Shapes/ShapeOps.cpp (modified)
	* src/Shapes/unittests/ShapeUnitTest.cpp (modified)
	* src/Tesselation/BoundaryLineSet.cpp (modified)
	* src/Tesselation/BoundaryPointSet.cpp (modified)
	* src/Tesselation/BoundaryPolygonSet.cpp (modified)
	* src/Tesselation/BoundaryTriangleSet.cpp (modified)
	* src/Tesselation/CandidateForTesselation.cpp (modified)
	* src/Tesselation/TesselPoint.cpp (modified)
	* src/Tesselation/boundary.cpp (modified)
	* src/Tesselation/ellipsoid.cpp (modified)
	* src/Tesselation/tesselation.cpp (modified)
	* src/Tesselation/tesselationhelpers.cpp (modified)
	* src/Tesselation/triangleintersectionlist.cpp (modified)
	* src/Tesselation/unittests/TesselationUnitTest.cpp (modified)
	* src/Tesselation/unittests/Tesselation_BoundaryTriangleUnitTest.cpp (modified)
	* src/Tesselation/unittests/Tesselation_InsideOutsideUnitTest.cpp (modified)
	* src/Thermostats/Berendsen.cpp (modified)
	* src/Thermostats/GaussianThermostat.cpp (modified)
	* src/Thermostats/Langevin.cpp (modified)
	* src/Thermostats/NoThermostat.cpp (modified)
	* src/Thermostats/NoseHoover.cpp (modified)
	* src/Thermostats/ThermoStatContainer.cpp (modified)
	* src/Thermostats/Thermostat.cpp (modified)
	* src/Thermostats/Woodcock.cpp (modified)
	* src/UIElements/CommandLineUI/CommandLineDialog.cpp (modified)
	* src/UIElements/CommandLineUI/CommandLineParser.cpp (modified)
	* src/UIElements/CommandLineUI/CommandLineParser_validate.cpp (modified)
	* src/UIElements/CommandLineUI/CommandLineStatusIndicator.cpp (modified)
	* src/UIElements/CommandLineUI/CommandLineUIFactory.cpp (modified)
	* src/UIElements/CommandLineUI/CommandLineWindow.cpp (modified)
	* src/UIElements/CommandLineUI/Query/AtomCommandLineQuery.cpp (modified)
	* src/UIElements/CommandLineUI/Query/AtomsCommandLineQuery.cpp (modified)
	* src/UIElements/CommandLineUI/Query/BooleanCommandLineQuery.cpp (modified)
	* src/UIElements/CommandLineUI/Query/BoxCommandLineQuery.cpp (modified)
	* src/UIElements/CommandLineUI/Query/DoubleCommandLineQuery.cpp (modified)
	* src/UIElements/CommandLineUI/Query/DoublesCommandLineQuery.cpp (modified)
	* src/UIElements/CommandLineUI/Query/ElementCommandLineQuery.cpp (modified)
	* src/UIElements/CommandLineUI/Query/ElementsCommandLineQuery.cpp (modified)
	* src/UIElements/CommandLineUI/Query/EmptyCommandLineQuery.cpp (modified)
	* src/UIElements/CommandLineUI/Query/FileCommandLineQuery.cpp (modified)
	* src/UIElements/CommandLineUI/Query/IntCommandLineQuery.cpp (modified)
	* src/UIElements/CommandLineUI/Query/IntsCommandLineQuery.cpp (modified)
	* src/UIElements/CommandLineUI/Query/MoleculeCommandLineQuery.cpp (modified)
	* src/UIElements/CommandLineUI/Query/MoleculesCommandLineQuery.cpp (modified)
	* src/UIElements/CommandLineUI/Query/RandomNumberDistribution_ParametersCommandLineQuery.cpp (modified)
	* src/UIElements/CommandLineUI/Query/StringCommandLineQuery.cpp (modified)
	* src/UIElements/CommandLineUI/Query/StringsCommandLineQuery.cpp (modified)
	* src/UIElements/CommandLineUI/Query/UnsignedIntCommandLineQuery.cpp (modified)
	* src/UIElements/CommandLineUI/Query/UnsignedIntsCommandLineQuery.cpp (modified)
	* src/UIElements/CommandLineUI/Query/VectorCommandLineQuery.cpp (modified)
	* src/UIElements/CommandLineUI/Query/VectorsCommandLineQuery.cpp (modified)
	* src/UIElements/CommandLineUI/TypeEnumContainer.cpp (modified)
	* src/UIElements/CommandLineUI/unittests/CommandLineParser_ActionRegistry_ConsistencyUnitTest.cpp (modified)
	* src/UIElements/Dialog.cpp (modified)
	* src/UIElements/MainWindow.cpp (modified)
	* src/UIElements/Menu/Menu.cpp (modified)
	* src/UIElements/Menu/MenuDescription.cpp (modified)
	* src/UIElements/Menu/MenuInterface.cpp (modified)
	* src/UIElements/Menu/Qt4/QtMenuPipe.cpp (modified)
	* src/UIElements/Menu/TextMenu/ActionMenuItem.cpp (modified)
	* src/UIElements/Menu/TextMenu/DisplayMenuItem.cpp (modified)
	* src/UIElements/Menu/TextMenu/MenuItem.cpp (modified)
	* src/UIElements/Menu/TextMenu/SeparatorMenuItem.cpp (modified)
	* src/UIElements/Menu/TextMenu/SubMenuItem.cpp (modified)
	* src/UIElements/Menu/TextMenu/TxMenu.cpp (modified)
	* src/UIElements/Menu/TextMenu/TxMenuLeaveAction.cpp (modified)
	* src/UIElements/Menu/unittests/MenuDescriptionUnitTest.cpp (modified)
	* src/UIElements/Menu/unittests/MenuDescription_ActionRegistry_ConsistencyUnitTest.cpp (modified)
	* src/UIElements/Qt4/Pipe/AtomQtQueryPipe.cpp (modified)
	* src/UIElements/Qt4/Pipe/AtomsQtQueryPipe.cpp (modified)
	* src/UIElements/Qt4/Pipe/BooleanQtQueryPipe.cpp (modified)
	* src/UIElements/Qt4/Pipe/BoxQtQueryPipe.cpp (modified)
	* src/UIElements/Qt4/Pipe/DoubleQtQueryPipe.cpp (modified)
	* src/UIElements/Qt4/Pipe/ElementQtQueryPipe.cpp (modified)
	* src/UIElements/Qt4/Pipe/ElementsQtQueryPipe.cpp (modified)
	* src/UIElements/Qt4/Pipe/EmptyQtQueryPipe.cpp (modified)
	* src/UIElements/Qt4/Pipe/FileQtQueryPipe.cpp (modified)
	* src/UIElements/Qt4/Pipe/IntQtQueryPipe.cpp (modified)
	* src/UIElements/Qt4/Pipe/MoleculeQtQueryPipe.cpp (modified)
	* src/UIElements/Qt4/Pipe/MoleculesQtQueryPipe.cpp (modified)
	* src/UIElements/Qt4/Pipe/RandomNumberDistribution_ParametersQtQueryPipe.cpp (modified)
	* src/UIElements/Qt4/Pipe/StringQtQueryPipe.cpp (modified)
	* src/UIElements/Qt4/Pipe/UnsignedIntQtQueryPipe.cpp (modified)
	* src/UIElements/Qt4/Pipe/VectorQtQueryPipe.cpp (modified)
	* src/UIElements/Qt4/Pipe/VectorsQtQueryPipe.cpp (modified)
	* src/UIElements/Qt4/QtDialog.cpp (modified)
	* src/UIElements/Qt4/QtMainWindow.cpp (modified)
	* src/UIElements/Qt4/QtUIFactory.cpp (modified)
	* src/UIElements/Qt4/Query/AtomQtQuery.cpp (modified)
	* src/UIElements/Qt4/Query/AtomsQtQuery.cpp (modified)
	* src/UIElements/Qt4/Query/BooleanQtQuery.cpp (modified)
	* src/UIElements/Qt4/Query/BoxQtQuery.cpp (modified)
	* src/UIElements/Qt4/Query/DoubleQtQuery.cpp (modified)
	* src/UIElements/Qt4/Query/DoublesQtQuery.cpp (modified)
	* src/UIElements/Qt4/Query/ElementQtQuery.cpp (modified)
	* src/UIElements/Qt4/Query/ElementsQtQuery.cpp (modified)
	* src/UIElements/Qt4/Query/EmptyQtQuery.cpp (modified)
	* src/UIElements/Qt4/Query/FileQtQuery.cpp (modified)
	* src/UIElements/Qt4/Query/IntQtQuery.cpp (modified)
	* src/UIElements/Qt4/Query/IntsQtQuery.cpp (modified)
	* src/UIElements/Qt4/Query/MoleculeQtQuery.cpp (modified)
	* src/UIElements/Qt4/Query/MoleculesQtQuery.cpp (modified)
	* src/UIElements/Qt4/Query/RandomNumberDistribution_ParametersQtQuery.cpp (modified)
	* src/UIElements/Qt4/Query/StringQtQuery.cpp (modified)
	* src/UIElements/Qt4/Query/StringsQtQuery.cpp (modified)
	* src/UIElements/Qt4/Query/UnsignedIntQtQuery.cpp (modified)
	* src/UIElements/Qt4/Query/UnsignedIntsQtQuery.cpp (modified)
	* src/UIElements/Qt4/Query/VectorQtQuery.cpp (modified)
	* src/UIElements/Qt4/Query/VectorsQtQuery.cpp (modified)
	* src/UIElements/Query/AtomQuery.cpp (modified)
	* src/UIElements/Query/AtomsQuery.cpp (modified)
	* src/UIElements/Query/BooleanQuery.cpp (modified)
	* src/UIElements/Query/BoxQuery.cpp (modified)
	* src/UIElements/Query/DoubleQuery.cpp (modified)
	* src/UIElements/Query/DoublesQuery.cpp (modified)
	* src/UIElements/Query/ElementQuery.cpp (modified)
	* src/UIElements/Query/ElementsQuery.cpp (modified)
	* src/UIElements/Query/EmptyQuery.cpp (modified)
	* src/UIElements/Query/FileQuery.cpp (modified)
	* src/UIElements/Query/IntQuery.cpp (modified)
	* src/UIElements/Query/IntsQuery.cpp (modified)
	* src/UIElements/Query/MoleculeQuery.cpp (modified)
	* src/UIElements/Query/MoleculesQuery.cpp (modified)
	* src/UIElements/Query/Query.cpp (modified)
	* src/UIElements/Query/RandomNumberDistribution_ParametersQuery.cpp (modified)
	* src/UIElements/Query/StringQuery.cpp (modified)
	* src/UIElements/Query/StringsQuery.cpp (modified)
	* src/UIElements/Query/UnsignedIntQuery.cpp (modified)
	* src/UIElements/Query/UnsignedIntsQuery.cpp (modified)
	* src/UIElements/Query/VectorQuery.cpp (modified)
	* src/UIElements/Query/VectorsQuery.cpp (modified)
	* src/UIElements/TextUI/Query/AtomTextQuery.cpp (modified)
	* src/UIElements/TextUI/Query/AtomsTextQuery.cpp (modified)
	* src/UIElements/TextUI/Query/BooleanTextQuery.cpp (modified)
	* src/UIElements/TextUI/Query/BoxTextQuery.cpp (modified)
	* src/UIElements/TextUI/Query/DoubleTextQuery.cpp (modified)
	* src/UIElements/TextUI/Query/DoublesTextQuery.cpp (modified)
	* src/UIElements/TextUI/Query/ElementTextQuery.cpp (modified)
	* src/UIElements/TextUI/Query/ElementsTextQuery.cpp (modified)
	* src/UIElements/TextUI/Query/EmptyTextQuery.cpp (modified)
	* src/UIElements/TextUI/Query/FileTextQuery.cpp (modified)
	* src/UIElements/TextUI/Query/IntTextQuery.cpp (modified)
	* src/UIElements/TextUI/Query/IntsTextQuery.cpp (modified)
	* src/UIElements/TextUI/Query/MoleculeTextQuery.cpp (modified)
	* src/UIElements/TextUI/Query/MoleculesTextQuery.cpp (modified)
	* src/UIElements/TextUI/Query/RandomNumberDistribution_ParametersTextQuery.cpp (modified)
	* src/UIElements/TextUI/Query/StringTextQuery.cpp (modified)
	* src/UIElements/TextUI/Query/StringsTextQuery.cpp (modified)
	* src/UIElements/TextUI/Query/UnsignedIntTextQuery.cpp (modified)
	* src/UIElements/TextUI/Query/UnsignedIntsTextQuery.cpp (modified)
	* src/UIElements/TextUI/Query/VectorTextQuery.cpp (modified)
	* src/UIElements/TextUI/Query/VectorsTextQuery.cpp (modified)
	* src/UIElements/TextUI/TextDialog.cpp (modified)
	* src/UIElements/TextUI/TextStatusIndicator.cpp (modified)
	* src/UIElements/TextUI/TextUIFactory.cpp (modified)
	* src/UIElements/TextUI/TextWindow.cpp (modified)
	* src/UIElements/UIFactory.cpp (modified)
	* src/UIElements/Views/MethodStringView.cpp (modified)
	* src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject.cpp (modified)
	* src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_atom.cpp (modified)
	* src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_bond.cpp (modified)
	* src/UIElements/Views/Qt4/Qt3D/GLWorldScene.cpp (modified)
	* src/UIElements/Views/Qt4/Qt3D/GLWorldView.cpp (modified)
	* src/UIElements/Views/Qt4/QtMoleculeView.cpp (modified)
	* src/UIElements/Views/Qt4/QtStatusBar.cpp (modified)
	* src/UIElements/Views/Qt4/QtWorldView.cpp (modified)
	* src/UIElements/Views/StreamStringView.cpp (modified)
	* src/UIElements/Views/StringView.cpp (modified)
	* src/UIElements/Views/View.cpp (modified)
	* src/World.cpp (modified)
	* src/WorldTime.cpp (modified)
	* src/atom.cpp (modified)
	* src/atom_atominfo.cpp (modified)
	* src/atom_bondedparticle.cpp (modified)
	* src/atom_bondedparticleinfo.cpp (modified)
	* src/atom_graphnode.cpp (modified)
	* src/atom_graphnodeinfo.cpp (modified)
	* src/atom_observable.cpp (modified)
	* src/atom_particleinfo.cpp (modified)
	* src/builder.cpp (modified)
	* src/builder_init.cpp (modified)
	* src/cleanUp.cpp (modified)
	* src/config.cpp (modified)
	* src/linkedcell.cpp (modified)
	* src/molecule.cpp (modified)
	* src/molecule_geometry.cpp (modified)
	* src/molecule_graph.cpp (modified)
	* src/moleculelist.cpp (modified)
	* src/unittests/BoxUnitTest.cpp (modified)
	* src/unittests/FormulaUnitTest.cpp (modified)
	* src/unittests/LinkedCellUnitTest.cpp (modified)
	* src/unittests/ListOfBondsUnitTest.cpp (modified)
	* src/unittests/TestRunnerMain.cpp (modified)
	* src/unittests/UnitTestMain.cpp (modified)
	* src/unittests/WorldTimeUnitTest.cpp (modified)
	* tests/CodeChecks/testsuite-project-disclaimer.at (modified)

	Added additional check in CodeCheck's project disclaimer for current ...


Wed, 28 Dec 2011 15:24:58 GMT Frederik Heber <heber@…> [abae35]
	* src/Thermostats/Berendsen.cpp (modified)
	* src/Thermostats/GaussianThermostat.cpp (modified)
	* src/Thermostats/Langevin.cpp (modified)
	* src/Thermostats/NoThermostat.cpp (modified)
	* src/Thermostats/NoseHoover.cpp (modified)
	* src/Thermostats/Thermostat.cpp (modified)
	* src/Thermostats/Woodcock.cpp (modified)
	* src/UIElements/Menu/MenuInterface.cpp (modified)
	* tests/CodeChecks/Makefile.am (modified)
	* tests/CodeChecks/testsuite-project-disclaimer.at (added)
	* tests/CodeChecks/testsuite.at (modified)

	Added CodeCheck on presence of project disclaimer in all .cpp files.
 ...


Wed, 28 Dec 2011 15:24:58 GMT Frederik Heber <heber@…> [6108fd]
	* src/Element/unittests/Makefile.am (modified)

	FIX: Added missing CodePatterns libs to Element's unit tests.


Wed, 28 Dec 2011 15:24:57 GMT Frederik Heber <heber@…> [bab4f9]
	* src/Actions/unittests/ActionRegistryUnitTest.cpp (modified)

	FIX: Setting up and purging ActionRegistry instance in ...


Wed, 28 Dec 2011 15:24:57 GMT Frederik Heber <heber@…> [7bace8]
	* LinearAlgebra/src/unittests/Makefile.am (modified)

	FIX: LinearAlgebra's testrunner was not linked against boost ...


Wed, 28 Dec 2011 15:24:57 GMT Frederik Heber <heber@…> [db1a72]
	* LinearAlgebra/configure.ac (modified)
	* configure.ac (modified)

	FIX: Corrected check for gsl's blas requirement.


Wed, 28 Dec 2011 15:24:57 GMT Frederik Heber <heber@…> [c015b3]
	* configure.ac (modified)
	* src/Actions/Makefile.am (modified)
	* src/Makefile.am (modified)
	* src/UIElements/Makefile.am (modified)
	* tests/Makefile.am (modified)
	* tests/Python/AllActions/getPossibleOptions.sh (moved)
	* tests/Python/AllActions/listcmds.py (moved)
	* tests/Python/AllActions/missing.dat (moved)
	* tests/Python/AllActions/moltest.py (moved)
	* tests/Python/AllActions/moltest_check.py (moved)
	* tests/Python/AllActions/options.dat (moved)
	* tests/Python/AllActions/testsuite-python-allactions.at (added)
	* tests/Python/AllActions/testsuite-python-options_dat.at (added)
	* tests/Python/BoxMaker/post/out.data (moved)
	* tests/Python/BoxMaker/post/out.xyz (moved)
	* tests/Python/BoxMaker/pre/argon.data (moved)
	* tests/Python/BoxMaker/pre/argon.potentials (moved)
	* tests/Python/BoxMaker/pre/argon.tremolo (moved)
	* tests/Python/BoxMaker/testsuite-python-boxmaker.at (added)
	* tests/Python/CommandHelp/testsuite-python-commandhelp.at (moved)
	* tests/Python/Makefile.am (added)
	* tests/Python/ReturnValueActions/testsuite-python-returnvalueactions.at (moved)
	* tests/Python/atlocal.in (added)
	* tests/Python/run.in (moved)
	* tests/Python/testsuite.at (added)
	* tests/regression/Makefile.am (modified)
	* tests/regression/Python/AllActions/testsuite-python-allactions.at (deleted)
	* tests/regression/Python/AllActions/testsuite-python-options_dat.at (deleted)
	* tests/regression/Python/BoxMaker/testsuite-python-boxmaker.at (deleted)
	* tests/regression/Python/testsuite-python.at (deleted)
	* tests/regression/testsuite.at (modified)
	* utils/Makefile.am (modified)

	Added enable-switches for Qt-based GUI and python module and scripts. ...


Wed, 28 Dec 2011 15:24:56 GMT Frederik Heber <heber@…> [f3b8a5]
	* LinearAlgebra/configure.ac (modified)
	* configure.ac (modified)

	Changed enable switches in configure.ac.

	- with-valgrind is ...


Wed, 28 Dec 2011 15:24:56 GMT Frederik Heber <heber@…> [e06010]
	* Makefile.am (modified)
	* m4/ax_python.m4 (modified)

	FIX: Added missing ax_python.m4, added support for 2.7.

	- added ...


Wed, 28 Dec 2011 15:24:24 GMT Frederik Heber <heber@…> [b136f6]
	* src/unittests/LinkedCellUnitTest.cpp (modified)

	FIX: Added Assert_Do to linkedcellUnitTest.


Wed, 28 Dec 2011 15:24:24 GMT Frederik Heber <heber@…> [68c923]
	* LinearAlgebra/src/LinearAlgebra/BoxVector.hpp (modified)
	* LinearAlgebra/src/unittests/MatrixContentUnitTest.cpp (modified)
	* src/Actions/MoleculeAction/FillWithMoleculeAction.cpp (modified)
	* src/Actions/WorldAction/CenterInBoxAction.cpp (modified)
	* src/Box.cpp (modified)
	* src/Graph/BondGraph.hpp (modified)
	* src/IPointCloud.hpp (modified)
	* src/Parser/ChangeTracker.hpp (modified)
	* src/Tesselation/BoundaryTriangleSet.cpp (modified)
	* src/UIElements/Menu/TextMenu/ActionMenuItem.hpp (modified)
	* src/UIElements/Menu/TextMenu/TextMenu.hpp (modified)

	Lots of small compiler warning fixes.

	Issues:
	- non-virtual ...


Wed, 28 Dec 2011 15:24:23 GMT Frederik Heber <heber@…> [de29ad6]
	* LinearAlgebra/src/LinearAlgebra/VectorSet.hpp (modified)
	* src/Box.cpp (modified)
	* src/Box.hpp (modified)
	* src/Graph/BondGraph.cpp (modified)
	* src/unittests/BoxUnitTest.cpp (modified)

	Some optimization to speed up Subgraph dissections.

	- Replaced ...


Thu, 10 Nov 2011 16:05:43 GMT Frederik Heber <heber@…> [bde4a6]
	* configure.ac (modified)

	Set version to 1.2.0

	- Molecuilder library is now 6:0:0.

	- ...


Thu, 10 Nov 2011 16:05:39 GMT Frederik Heber <heber@…> [936a02]
	* data/bondtables/bondtable.dat (added)
	* data/databases/Hbondangle.db (moved)
	* data/databases/Hbonddistance.db (moved)
	* data/databases/elements.db (moved)
	* data/databases/orbitals.db (moved)
	* data/databases/valence.db (moved)
	* data/molecules/ATPase.pdb (added)
	* data/molecules/AntifreezeProtein.pdb (added)
	* data/molecules/bpti.pdb (added)
	* data/molecules/oxirane.pdb (added)
	* data/molecules/portlandite.pdb (added)
	* data/molecules/propene.pdb (added)
	* data/molecules/testosterone.pdb (added)
	* data/molecules/tmv_periodic_segment.pdb (added)
	* data/molecules/tmv_periodic_tube.pdb (added)
	* data/molecules/water.pdb (added)
	* src/Makefile.am (modified)
	* src/documentation/data.dox (added)
	* src/documentation/mainpage.dox (modified)

	Creating data dir for bondtables, databases, and molecules.

	- Moved ...


Thu, 10 Nov 2011 11:23:54 GMT Frederik Heber <heber@…> [1a041f]
	* src/documentation/debug.dox (added)

	DOCU: added documentation on how to debug the code.


Thu, 10 Nov 2011 11:23:49 GMT Frederik Heber <heber@…> [04e1fb]
	* configure.ac (modified)
	* utils/Makefile.am (modified)
	* utils/python_wrapper.in (added)

	Added rules to utils/Makefile.am such that python script can be ...


Thu, 10 Nov 2011 10:21:23 GMT Frederik Heber <heber@…> [938ffd]
	* Makefile.am (modified)
	* configure.ac (modified)
	* utils/Makefile.am (added)

	Added Makefile to utils to install python scripts.


Thu, 10 Nov 2011 10:21:23 GMT Frederik Heber <heber@…> [0d571d7]
	* tests/regression/Domain/RepeatBox/testsuite-domain-repeat-box.at (modified)

	DISTCHECKFIX: Forgot to set write permissions for new ec.data test ...


Thu, 10 Nov 2011 10:21:23 GMT Frederik Heber <heber@…> [a55be1]
	* tests/regression/Makefile.am (modified)

	DISTCHECKFIX: testsuite does not depends on run scripts.

	- ...


Tue, 08 Nov 2011 11:45:15 GMT Frederik Heber <heber@…> [12facf]
	* src/Actions/hello.cpp (deleted)
	* src/Makefile.am (modified)
	* tests/regression/Makefile.am (modified)
	* tests/regression/Python/Pythontest/testsuite-python-pythontest.at (deleted)
	* tests/regression/Python/testsuite-python.at (modified)

	Removed now obsolete Pythontest including regression test.

	- as ...


Tue, 08 Nov 2011 11:45:15 GMT Frederik Heber <heber@…> [dd0f1b]
	* tests/CodeChecks/testsuite-config_h.at (modified)

	DISTCHECKFIX: Added AllActionPython.hpp and AllActionHeaders.hpp to ...


Tue, 08 Nov 2011 11:45:15 GMT Frederik Heber <heber@…> [48d3c0]
	* src/Actions/Makefile.am (modified)
	* src/Makefile.am (modified)

	DISTCHECKFIX: Added some missing header files in src/Actions.

	- ...


Mon, 07 Nov 2011 18:34:45 GMT Frederik Heber <heber@…> [4269ca]
	* src/UIElements/Qt4/QtUIFactory.cpp (modified)
	* src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject.hpp (modified)
	* src/UIElements/Views/Qt4/Qt3D/GLWorldView.hpp (modified)

	FIX: Some Qt includes were not style-consistent.


Mon, 07 Nov 2011 18:34:45 GMT Frederik Heber <heber@…> [5dfeeb]
	* LinearAlgebra/doc/Makefile.am (modified)
	* doc/Makefile.am (modified)

	DISTCHECKFIX: Added forgotten Doxyfile to EXTRA_DIST.


Mon, 07 Nov 2011 18:34:45 GMT Frederik Heber <heber@…> [24da48]
	* src/Actions/Makefile.am (modified)

	DISTCHECKFIX: Added missing ActionTraits.hpp to
	src/Actions/Makefile.am.


Mon, 07 Nov 2011 18:34:45 GMT Frederik Heber <heber@…> [c1ab1f]
	* src/Actions/Makefile.am (modified)

	DISTCHECKFIX: Added all Reaction...hpp to src/Actions/Makefile.am.


Mon, 07 Nov 2011 18:34:45 GMT Frederik Heber <heber@…> [ed3000]
	* Makefile.am (modified)

	DISTCHECKFIX: Removed bnv_have_qt.m4 from EXTRA_DIST.


Mon, 07 Nov 2011 18:34:05 GMT Frederik Heber <heber@…> [e85bf2]
	* tests/CodeChecks/Makefile.am (modified)
	* tests/CodeChecks/testsuite-globallistofactions_hpp.at (added)
	* tests/CodeChecks/testsuite.at (modified)

	Added code check test whether every .def's Action is listed in ...


Mon, 07 Nov 2011 18:33:50 GMT Frederik Heber <heber@…> [5ab796]
	* tests/regression/Makefile.am (modified)
	* tests/regression/Python/AllActions/moltest_check.py (added)
	* tests/regression/Python/AllActions/options.dat (modified)
	* tests/regression/Python/AllActions/testsuite-python-options_dat.at (added)
	* tests/regression/Python/testsuite-python.at (modified)

	Added regression test on whether all options in the python module are ...


Mon, 07 Nov 2011 16:13:18 GMT Frederik Heber <heber@…> [f894fe]
	* utils/boxmaker.py.in (modified)

	Changed GetSourceMolareMass() and GetSourceBBabs() of boxmaker.py.
 ...


Mon, 07 Nov 2011 16:13:18 GMT Frederik Heber <heber@…> [f89b45]
	* src/Actions/AnalysisAction/CalculateBoundingBoxAction.cpp (added)
	* src/Actions/AnalysisAction/CalculateBoundingBoxAction.def (added)
	* src/Actions/AnalysisAction/CalculateBoundingBoxAction.hpp (added)
	* src/Actions/GlobalListOfActions.hpp (modified)
	* src/Actions/Makefile.am (modified)
	* src/Actions/pyMoleCuilder.cpp (modified)
	* tests/regression/Analysis/CalculateBoundingBox/testsuite-analysis-calculate-bounding-box.at (added)
	* tests/regression/Analysis/testsuite-analysis.at (modified)
	* tests/regression/Makefile.am (modified)
	* tests/regression/Python/AllActions/listcmds.py (added)
	* tests/regression/Python/AllActions/moltest.py (modified)
	* tests/regression/Python/AllActions/options.dat (modified)
	* tests/regression/Python/AllActions/testsuite-python-allactions.at (modified)

	Added Reaction CalculateBoundingBoxAction.

	- calculate bounding box ...


Mon, 07 Nov 2011 16:13:18 GMT Frederik Heber <heber@…> [55f299]
	* src/Actions/AnalysisAction/CalculateMolarMassAction.cpp (added)
	* src/Actions/AnalysisAction/CalculateMolarMassAction.def (added)
	* src/Actions/AnalysisAction/CalculateMolarMassAction.hpp (added)
	* src/Actions/GlobalListOfActions.hpp (modified)
	* src/Actions/Makefile.am (modified)
	* tests/regression/Analysis/CalculateMolarMass/pre/argon.xyz (added)
	* tests/regression/Analysis/CalculateMolarMass/pre/water.xyz (added)
	* tests/regression/Analysis/CalculateMolarMass/testsuite-analysis-calculate-molar-mass.at (added)
	* tests/regression/Analysis/testsuite-analysis.at (modified)
	* tests/regression/Makefile.am (modified)
	* tests/regression/Python/AllActions/options.dat (modified)

	Added Reaction CalculateMolarMassAction.

	- calculate molar mass ...


Mon, 07 Nov 2011 16:13:18 GMT Frederik Heber <heber@…> [6c61a9]
	* tests/regression/Makefile.am (modified)
	* tests/regression/Python/BoxMaker/post/out.data (added)
	* tests/regression/Python/BoxMaker/post/out.xyz (added)
	* tests/regression/Python/BoxMaker/pre/argon.data (added)
	* tests/regression/Python/BoxMaker/pre/argon.potentials (added)
	* tests/regression/Python/BoxMaker/pre/argon.tremolo (added)
	* tests/regression/Python/BoxMaker/testsuite-python-boxmaker.at (added)
	* tests/regression/Python/testsuite-python.at (modified)

	Added regression test for boxmaker.py.


Mon, 07 Nov 2011 16:13:18 GMT Frederik Heber <heber@…> [2aa9ef]
	* utils/boxmaker.py.in (modified)

	UpdateSource function of boxmaker.py is not an external call to ...


Mon, 07 Nov 2011 16:13:18 GMT Frederik Heber <heber@…> [dfef3f]
	* src/Actions/Action.cpp (modified)
	* src/Actions/Action.hpp (modified)
	* src/Actions/ActionHistory.cpp (modified)
	* src/cleanUp.cpp (modified)

	FIX: empty states Action::success and ::failure are now managed by ...


Mon, 07 Nov 2011 16:13:17 GMT Frederik Heber <heber@…> [d628da]
	* src/Actions/Action_impl_python.hpp (modified)

	Added docstring also to python exported functions without any ...


Mon, 07 Nov 2011 16:13:17 GMT Frederik Heber <heber@…> [567357]
	* src/Actions/pyMoleCuilder.cpp (modified)
	* src/cleanUp.cpp (modified)
	* src/cleanUp.hpp (modified)

	FIX: cleanUp() replaced by module_reinit() and .._exit() in ...


Mon, 07 Nov 2011 16:13:01 GMT Frederik Heber <heber@…> [b5d38d]
	* src/builder.cpp (modified)
	* src/builder_init.cpp (modified)
	* src/builder_init.hpp (modified)
	* src/cleanUp.cpp (modified)
	* src/cleanUp.hpp (modified)

	Moved dumpMemory() and saveAll() from module builder_init to cleanUp.


Mon, 07 Nov 2011 16:12:25 GMT Frederik Heber <heber@…> [bcfb77]
	* configure.ac (modified)
	* utils/boxmaker.py.in (moved)

	Added correct shebang to boxmaker.py.

	- also configure fills in ...


Mon, 07 Nov 2011 16:12:25 GMT Frederik Heber <heber@…> [239cc5]
	* utils/boxmaker.py (modified)

	Didn't save the file -.-"


Mon, 07 Nov 2011 16:12:25 GMT Frederik Heber <heber@…> [bfbb62]
	* utils/boxmaker.py (modified)

	Final version 1.0

	- Added shebang line
	- Added short file ...


Mon, 07 Nov 2011 16:12:25 GMT Frederik Heber <heber@…> [c0c85f]
	* utils/boxmaker.py (modified)

	Restructured Code

	- temp_source.xyz is created only once
	- boolean ...


Mon, 07 Nov 2011 16:12:25 GMT Frederik Heber <heber@…> [b82ede]
	* utils/HOWTO-boxmaker (added)

	Very basic documentation on how to use boxmaker


Mon, 07 Nov 2011 16:12:24 GMT Frederik Heber <heber@…> [0ad49c]
	* utils/boxmaker.py (modified)

	Update: Automatic mass calculation

	Also:
	 - Shortcut for every option


Mon, 07 Nov 2011 16:12:24 GMT Frederik Heber <heber@…> [39cbae]
	* utils/boxmaker.py (modified)

	Update: Unit handling

	- temp might have a dimension now
	- Leading ...


Mon, 07 Nov 2011 16:12:24 GMT Frederik Heber <heber@…> [751d7f1]
	* utils/boxmaker.py (modified)

	Update: Shortcuts for common Parameters


Mon, 07 Nov 2011 16:12:24 GMT Frederik Heber <heber@…> [32bc47]
	* utils/boxmaker.py (modified)

	Update: autorotate

	Not tested yet, but it seems like it does ...


Mon, 07 Nov 2011 16:12:24 GMT Frederik Heber <heber@…> [0c83d8]
	* utils/boxmaker.py (modified)

	Less ugly advanced version

	- Class (struct) based global options
	- ...


Mon, 07 Nov 2011 16:12:24 GMT Frederik Heber <heber@…> [5735ba]
	* utils/boxmaker.py (added)

	Ugly base version of boxmaker.py

	TODO:
	- stability fixes
	- ...


Mon, 07 Nov 2011 12:24:07 GMT Frederik Heber <heber@…> [54088a]
	* src/Actions/AnalysisAction/CalculateCellVolumeAction.cpp (modified)
	* src/Actions/AnalysisAction/CalculateCellVolumeAction.def (modified)
	* src/Actions/AnalysisAction/CalculateCellVolumeAction.hpp (modified)
	* src/Actions/GlobalListOfActions.hpp (modified)
	* src/Actions/Makefile.am (modified)
	* tests/regression/Analysis/CalculateCellVolume/testsuite-analysis-calculate-cell-volume.at (added)
	* tests/regression/Analysis/testsuite-analysis.at (modified)
	* tests/regression/Makefile.am (modified)
	* tests/regression/Python/ReturnValueActions/testsuite-python-returnvalueactions.at (added)
	* tests/regression/Python/testsuite-python.at (modified)

	Added first Reaction named CalculateCellVolumeAction.

	- this sets ...


Mon, 07 Nov 2011 12:24:06 GMT Frederik Heber <heber@…> [6aa485]
	* src/Actions/Action_impl_python.hpp (modified)
	* src/Actions/Action_impl_undef.hpp (modified)

	Actions exported to Python may contain a returntype.

	- returntype ...


Mon, 07 Nov 2011 12:24:06 GMT Frederik Heber <heber@…> [1540859]
	* src/Actions/AnalysisAction/CalculateCellVolumeAction.cpp (added)
	* src/Actions/AnalysisAction/CalculateCellVolumeAction.def (added)
	* src/Actions/AnalysisAction/CalculateCellVolumeAction.hpp (added)
	* src/Actions/Reaction.hpp (added)
	* src/Actions/Reaction_impl.hpp (added)
	* src/Actions/Reaction_impl_header.hpp (added)
	* src/Actions/Reaction_impl_pre.hpp (added)

	Added Reaction as Action with a return value.

	- this is derived ...


Mon, 07 Nov 2011 12:24:05 GMT Frederik Heber <heber@…> [874597]
	* src/Actions/Action_impl_python.hpp (modified)

	FIX: some defines were forgotten to be undefined in ...


Mon, 07 Nov 2011 12:24:05 GMT Frederik Heber <heber@…> [9d613f]
	* src/Actions/WorldAction/RepeatBoxAction.cpp (modified)
	* tests/regression/Domain/RepeatBox/post/ec.data (added)
	* tests/regression/Domain/RepeatBox/pre/ec.data (added)
	* tests/regression/Domain/RepeatBox/pre/ec.potentials (added)
	* tests/regression/Domain/RepeatBox/testsuite-domain-repeat-box.at (modified)

	FIX: RepeatBoxAction did not use CopyMolecule() but copied by hand. ...


Mon, 07 Nov 2011 12:24:05 GMT Frederik Heber <heber@…> [f27fa7]
	* tests/regression/Python/AllActions/testsuite-python-allactions.at (modified)

	TESTFIX: Added test whether calling not present command truely fails. ...


Mon, 07 Nov 2011 12:24:04 GMT Frederik Heber <heber@…> [cbb32d]
	* tests/regression/Python/AllActions/moltest.py (modified)
	* tests/regression/Python/AllActions/testsuite-python-allactions.at (modified)

	Small cosmetical changes to moltest.py.

	- We now use Popen to call ...


Mon, 07 Nov 2011 12:24:03 GMT Frederik Heber <heber@…> [3493da]
	* tests/regression/Makefile.am (modified)
	* tests/regression/Python/AllActions/getPossibleOptions.sh (added)
	* tests/regression/Python/AllActions/missing.dat (added)
	* tests/regression/Python/AllActions/options.dat (added)
	* tests/regression/Python/AllActions/testsuite-python-allactions.at (added)
	* tests/regression/Python/testsuite-python.at (modified)

	Gathered default values for each action and wrote regression test ...


Mon, 07 Nov 2011 12:24:03 GMT Frederik Heber <heber@…> [6ca7b9]
	* tests/regression/Python/AllActions/moltest.py (added)

	Wrote python script to gather all functions in a pyMoleCuilder module ...


Mon, 07 Nov 2011 12:24:02 GMT Frederik Heber <heber@…> [3139b2]
	* src/Actions/Action.cpp (modified)
	* src/Actions/Action.hpp (modified)
	* src/Actions/ActionTrait.cpp (moved)
	* src/Actions/ActionTrait.hpp (added)
	* src/Actions/ActionTraits.hpp (modified)
	* src/Actions/Action_impl_header.hpp (modified)
	* src/Actions/Action_impl_pre.hpp (modified)
	* src/Actions/AtomsCalculation.hpp (modified)
	* src/Actions/AtomsCalculation_impl.hpp (modified)
	* src/Actions/Calculation.hpp (modified)
	* src/Actions/Calculation_impl.hpp (modified)
	* src/Actions/CommandAction/HelpAction.cpp (modified)
	* src/Actions/ErrorAction.cpp (modified)
	* src/Actions/ErrorAction.hpp (modified)
	* src/Actions/Makefile.am (modified)
	* src/Actions/MakroAction.cpp (modified)
	* src/Actions/MakroAction.hpp (modified)
	* src/Actions/ManipulateAtomsProcess.cpp (modified)
	* src/Actions/ManipulateAtomsProcess.hpp (modified)
	* src/Actions/MethodAction.cpp (modified)
	* src/Actions/MethodAction.hpp (modified)
	* src/Actions/OptionRegistry.cpp (modified)
	* src/Actions/Process.cpp (modified)
	* src/Actions/Process.hpp (modified)
	* src/Actions/unittests/ActionRegistryUnitTest.cpp (modified)
	* src/Actions/unittests/ActionSequenceUnitTest.cpp (modified)
	* src/Actions/unittests/AtomsCalculationUnitTest.cpp (modified)
	* src/UIElements/CommandLineUI/CommandLineParser.cpp (modified)
	* src/UIElements/CommandLineUI/unittests/CommandLineParser_ActionRegistry_ConsistencyUnitTest.cpp (modified)
	* src/UIElements/Menu/Menu.cpp (modified)
	* src/UIElements/Menu/TextMenu/TextMenu.hpp (modified)
	* src/UIElements/Menu/TextMenu/TxMenuLeaveAction.cpp (modified)
	* src/UIElements/Menu/TextMenu/TxMenuLeaveAction.hpp (modified)
	* src/UIElements/Menu/unittests/MenuDescription_ActionRegistry_ConsistencyUnitTest.cpp (modified)
	* src/UIElements/TextUI/TextWindow.cpp (modified)
	* src/World.cpp (modified)
	* src/World.hpp (modified)
	* src/World_calculations.hpp (modified)

	Renamed ActionTrait and ActionTraits.

	- the specialized Trait ...


Mon, 07 Nov 2011 12:24:00 GMT Frederik Heber <heber@…> [c20b35]
	* src/Actions/Makefile.am (modified)

	Added commented-out stuff for a extra libMolecuilderActionPython.la.
 ...


Mon, 07 Nov 2011 12:23:52 GMT Frederik Heber <heber@…> [949953]
	* src/Actions/Action_impl_python.hpp (added)
	* src/Actions/Action_impl_undef.hpp (added)
	* src/Actions/Makefile.am (modified)
	* src/Actions/pyMoleCuilder.cpp (modified)
	* src/Makefile.am (modified)
	* src/builder_init.cpp (modified)
	* src/builder_init.hpp (modified)
	* src/cleanUp.cpp (added)
	* src/cleanUp.hpp (added)

	pyMoleCuilder now has full functionality.

	- For each header file ...


Mon, 07 Nov 2011 10:46:37 GMT Frederik Heber <heber@…> [071243]
	* src/Actions/hello.cpp (modified)
	* src/Makefile.am (modified)

	Enhanced tiny example to resemble action structure.

	- Pythontest ...


Mon, 07 Nov 2011 10:46:37 GMT Frederik Heber <heber@…> [88ba1f]
	* src/Actions/Action_impl_pre.hpp (modified)
	* src/Actions/ValueStorage.hpp (modified)

	Added Action's COMMAND_stringargs() function call.

	- also added ...


Mon, 07 Nov 2011 10:46:37 GMT Frederik Heber <heber@…> [ddde10]
	* src/Actions/Action_impl_pre.hpp (modified)

	FIX: In Action's COMMAND() we don't need a params instance.


Mon, 07 Nov 2011 10:46:37 GMT Frederik Heber <heber@…> [6a2dae]
	* src/Actions/Action_impl_header.hpp (modified)

	Corrected indenting in ActionTrait<>s cstor.


Mon, 07 Nov 2011 10:46:37 GMT Frederik Heber <heber@…> [05736a]
	* src/Actions/Action_impl_header.hpp (modified)
	* src/Actions/Action_impl_pre.hpp (modified)

	Simplified Action's COMMAND() definition a bit.


Mon, 07 Nov 2011 10:46:37 GMT Frederik Heber <heber@…> [d41313]
	* src/Actions/ActionTraits.cpp (modified)
	* src/Actions/ActionTraits.hpp (modified)
	* src/Actions/OptionTrait.cpp (modified)
	* src/Actions/OptionTrait.hpp (modified)

	Added output operators for both ActionTraits and OptionTrait.


Mon, 07 Nov 2011 10:46:37 GMT Frederik Heber <heber@…> [dad802]
	* src/Actions/ActionTraits.cpp (modified)
	* src/Actions/OptionTrait.cpp (modified)
	* src/Actions/OptionTrait.hpp (modified)

	Modified ActionTraits' and OptionTrait's cstor and dstor slightly.
 ...


Mon, 07 Nov 2011 10:46:25 GMT Frederik Heber <heber@…> [83e90c]
	* src/Actions/ActionRegistry.cpp (modified)
	* src/Actions/ActionRegistry.hpp (modified)
	* src/Actions/Action_impl_pre.hpp (modified)
	* src/Actions/GlobalListOfActions.hpp (added)
	* src/Actions/Makefile.am (modified)

	New function ActionRegistry::fillRegistry() fills instead of static ...


Fri, 04 Nov 2011 15:20:41 GMT Frederik Heber <heber@…> [aee2da]
	* src/Makefile.am (modified)
	* src/UIElements/Makefile.am (modified)

	Added BUILT_SOURCES as appendable variable in various Makefile.am's.


Fri, 04 Nov 2011 15:20:41 GMT Frederik Heber <heber@…> [cb85f24]
	* src/UIElements/Menu/TextMenu/TextMenu.hpp (modified)
	* src/UIElements/Menu/TextMenu/TxMenuLeaveAction.hpp (modified)
	* src/UIElements/TextUI/TextWindow.cpp (modified)
	* src/UIElements/TextUI/TextWindow.hpp (modified)

	Removed using namespace MoleCuilder from TxMenuLeaveAction.

	- due ...


Fri, 04 Nov 2011 15:20:41 GMT Frederik Heber <heber@…> [693a80]
	* src/Actions/pyMoleCuilder.cpp (added)
	* src/Makefile.am (modified)
	* tests/regression/Makefile.am (modified)
	* tests/regression/Python/CommandHelp/testsuite-python-commandhelp.at (added)
	* tests/regression/Python/testsuite-python.at (modified)

	Added pyMoleCuilder as python module with single exported function ...


Fri, 04 Nov 2011 15:20:40 GMT Frederik Heber <heber@…> [a02f78]
	* src/Actions/Action_impl_header.hpp (modified)
	* src/Actions/Action_impl_pre.hpp (modified)

	FIX: Undefined preprocessor macro functions in Action_impl_....hpp.
 ...


Fri, 04 Nov 2011 15:20:40 GMT Frederik Heber <heber@…> [d470a6]
	* tests/regression/Makefile.am (modified)
	* tests/regression/Python/Pythontest/testsuite-python-pythontest.at (added)
	* tests/regression/Python/testsuite-python.at (modified)

	Moved regression test on little test module Pythontest into ...


Fri, 04 Nov 2011 15:20:40 GMT Frederik Heber <heber@…> [b4e6b4]
	* src/UIElements/CommandLineUI/TypeEnumContainer.hpp (modified)

	Added note that we really may use the address of a type_info object.
 ...


Fri, 04 Nov 2011 15:20:40 GMT Frederik Heber <heber@…> [807d91]
	* src/Actions/ActionTraits.hpp (modified)
	* src/Actions/Action_impl_header.hpp (modified)
	* src/Actions/OptionTrait.hpp (modified)

	MEMFIX: Virtualized destructors of OptionTrait, ActionTraits and ...


Fri, 04 Nov 2011 15:20:40 GMT Frederik Heber <heber@…> [b22179]
	* src/Actions/ActionTraits.cpp (modified)
	* src/Actions/OptionTrait.cpp (modified)
	* src/Actions/OptionTrait.hpp (modified)

	FIX: Removed OptionTrait's copy constructor as there are no pointers ...


Fri, 04 Nov 2011 15:20:40 GMT Frederik Heber <heber@…> [d44d7b]
	* src/Actions/Action.cpp (modified)

	Dstor of Action now unregisters itself and its Options in Action- and ...


Fri, 04 Nov 2011 15:20:40 GMT Frederik Heber <heber@…> [2d31e1]
	* configure.ac (modified)
	* src/Actions/hello.cpp (modified)
	* src/Makefile.am (modified)
	* tests/regression/Makefile.am (modified)
	* tests/regression/Python/run.in (added)
	* tests/regression/Python/testsuite-python.at (modified)

	Python tests are now launched via small script run.in.

	- this is ...


Fri, 04 Nov 2011 15:20:40 GMT Frederik Heber <heber@…> [715085]
	* configure.ac (modified)
	* m4/ax_python.m4 (added)
	* src/Actions/hello.cpp (added)
	* src/Makefile.am (modified)
	* tests/regression/Makefile.am (modified)
	* tests/regression/Python/testsuite-python.at (added)
	* tests/regression/testsuite.at (modified)

	Simple boost::python test program added.

	- we have a function ...


Fri, 04 Nov 2011 15:20:22 GMT Frederik Heber <heber@…> [46bba0]
	* src/Analysis/Makefile.am (modified)
	* src/Element/Makefile.am (modified)
	* src/Helpers/Makefile.am (modified)

	FIX: Removed versioning info from some convenience libraries.


Fri, 04 Nov 2011 15:20:22 GMT Frederik Heber <heber@…> [42c9e2]
	* src/Graph/CheckAgainstAdjacencyFile.cpp (modified)
	* src/Graph/CheckAgainstAdjacencyFile.hpp (modified)

	FIX: getKeys() and getValues() are now simply internal functions of ...


Fri, 04 Nov 2011 15:20:21 GMT Frederik Heber <heber@…> [13c969]
	* src/atom_atominfo.cpp (modified)

	FIX: atominfo::getType() does not care whether element exists.

	- ...


Fri, 04 Nov 2011 15:20:21 GMT Frederik Heber <heber@…> [e5cec4]
	* configure.ac (modified)
	* m4/bnv_have_qt.m4 (deleted)
	* src/UIElements/Makefile.am (modified)

	Removed macro bnv_have_qt, replaced by pkg-config info.

	- ...


Fri, 04 Nov 2011 15:20:21 GMT Frederik Heber <heber@…> [22db89]
	* configure.ac (modified)
	* m4/ax_codepatterns.m4 (modified)

	Using new version of CodePatterns 1.1.7.

	- m4 macro ...


Fri, 04 Nov 2011 15:20:06 GMT Frederik Heber <heber@…> [bf3379]
	* configure.ac (modified)

	Set version to 1.1.6

	- Molecuilder library is now 5:2:0.

	- ...


Fri, 04 Nov 2011 15:19:53 GMT Frederik Heber <heber@…> [4faa30]
	* src/UIElements/Qt4/Query/EmptyQtQuery.cpp (modified)

	FIX: EmptyQtQuery forgot to initialise thisLayout.


Fri, 04 Nov 2011 15:19:32 GMT Frederik Heber <heber@…> [3b5fca]
	* src/Makefile.am (modified)

	FIX: joiner, analzer and units lacked appropriate ..._LDFLAGS.

	- ...


Fri, 04 Nov 2011 15:19:31 GMT Frederik Heber <heber@…> [3995764]
	* LinearAlgebra/tests/CodeChecks/testsuite-config_h.at (modified)
	* LinearAlgebra/tests/CodeChecks/testsuite-memdebug.at (modified)
	* LinearAlgebra/tests/CodeChecks/testsuite.at (modified)

	DISTCHECKFIX: LinearAlgebra CodeChecks testsuite fails due to doubly ...


Fri, 04 Nov 2011 15:19:31 GMT Frederik Heber <heber@…> [6bdba0]
	* LinearAlgebra/doc/Makefile.am (modified)
	* LinearAlgebra/src/documentation/Makefile.am (added)
	* doc/Makefile.am (modified)
	* src/documentation/Makefile.am (added)

	DISTCHECKFIX: all .dox files are now given as EXTRA_DIST.

	- ...


Fri, 04 Nov 2011 15:19:11 GMT Frederik Heber <heber@…> [d24953]
	* src/Makefile.am (modified)
	* tests/CodeChecks/testsuite-config_h.at (modified)
	* tests/CodeChecks/testsuite-memdebug.at (modified)

	DISTCHECKFIX: target unity.cpp has no MemDebug.hpp or config.h.

	- ...


Fri, 04 Nov 2011 08:07:54 GMT Frederik Heber <heber@…> [262ecc]
	* m4/boost.m4 (modified)
	* src/Fragmentation/Makefile.am (modified)
	* src/Makefile.am (modified)

	DISTCHECKFIX: Forgotten .hpp files included.


Thu, 03 Nov 2011 19:44:02 GMT Frederik Heber <heber@…> [c2808e]
	* src/Parser/ChangeTracker.cpp (modified)
	* src/Parser/XyzParser.cpp (modified)

	FormatParser< xyz >::save() now uses numeric_limits<size_t>.


Thu, 03 Nov 2011 19:44:02 GMT Frederik Heber <heber@…> [ab26c3]
	* src/Dynamics/VerletForceIntegration.hpp (modified)
	* src/Makefile.am (modified)
	* src/Parser/PcpParser.cpp (modified)
	* src/Thermostats/Berendsen.cpp (modified)
	* src/Thermostats/Langevin.cpp (modified)
	* src/Thermostats/NoseHoover.cpp (modified)
	* src/Thermostats/ThermoStatContainer.cpp (moved)
	* src/Thermostats/ThermoStatContainer.hpp (moved)
	* src/Thermostats/Woodcock.cpp (modified)
	* src/World.cpp (modified)

	Moved ThermoStatContainer to folder src/Thermostats.


Thu, 03 Nov 2011 19:44:01 GMT Frederik Heber <heber@…> [41a467]
	* src/Actions/CommandAction/BondLengthTableAction.cpp (modified)
	* src/Actions/FragmentationAction/FragmentationAction.cpp (modified)
	* src/Actions/GraphAction/SubgraphDissectionAction.cpp (modified)
	* src/Actions/MoleculeAction/FillVoidWithMoleculeAction.cpp (modified)
	* src/Actions/MoleculeAction/FillWithMoleculeAction.cpp (modified)
	* src/Actions/MoleculeAction/SaveAdjacencyAction.cpp (modified)
	* src/Actions/MoleculeAction/SaveBondsAction.cpp (modified)
	* src/Actions/MoleculeAction/SuspendInWaterAction.cpp (modified)
	* src/Dynamics/MinimiseConstrainedPotential.cpp (modified)
	* src/Makefile.am (modified)
	* src/Parser/ConfigFileBuffer.cpp (moved)
	* src/Parser/ConfigFileBuffer.hpp (moved)
	* src/Parser/Makefile.am (modified)
	* src/Parser/MpqcParser.cpp (modified)
	* src/Parser/PcpParser.cpp (modified)
	* src/Parser/PcpParser_helper.cpp (added)
	* src/Parser/PcpParser_helper.hpp (added)
	* src/Parser/Psi3Parser.cpp (modified)
	* src/ThermoStatContainer.cpp (modified)
	* src/Thermostats/Berendsen.cpp (modified)
	* src/Thermostats/GaussianThermostat.cpp (modified)
	* src/Thermostats/Langevin.cpp (modified)
	* src/Thermostats/NoseHoover.cpp (modified)
	* src/Thermostats/Woodcock.cpp (modified)
	* src/UIElements/TextUI/TextWindow.cpp (modified)
	* src/config.cpp (modified)
	* src/config.hpp (modified)

	LARGE: config class is now just a tiny container.

	- this was ...


Thu, 03 Nov 2011 19:44:01 GMT Frederik Heber <heber@…> [47d041]
	* src/Actions/Action.cpp (modified)
	* src/Actions/AnalysisAction/MolecularVolumeAction.cpp (modified)
	* src/Actions/AnalysisAction/PrincipalAxisSystemAction.cpp (modified)
	* src/Actions/AnalysisAction/SurfaceCorrelationAction.cpp (modified)
	* src/Actions/AtomAction/AddAction.cpp (modified)
	* src/Actions/AtomAction/ChangeElementAction.cpp (modified)
	* src/Actions/AtomAction/RemoveAction.cpp (modified)
	* src/Actions/AtomAction/RotateAroundOriginByAngleAction.cpp (modified)
	* src/Actions/AtomAction/SaveSelectedAtomsAction.cpp (modified)
	* src/Actions/CommandAction/BondLengthTableAction.cpp (modified)
	* src/Actions/CommandAction/ElementDbAction.cpp (modified)
	* src/Actions/CommandAction/FastParsingAction.cpp (modified)
	* src/Actions/CommandAction/VerboseAction.cpp (modified)
	* src/Actions/ErrorAction.cpp (modified)
	* src/Actions/GraphAction/DepthFirstSearchAction.cpp (modified)
	* src/Actions/GraphAction/SubgraphDissectionAction.cpp (modified)
	* src/Actions/MoleculeAction/FillVoidWithMoleculeAction.cpp (modified)
	* src/Actions/MoleculeAction/FillWithMoleculeAction.cpp (modified)
	* src/Actions/MoleculeAction/LoadAction.cpp (modified)
	* src/Actions/MoleculeAction/RotateAroundSelfByAngleAction.cpp (modified)
	* src/Actions/MoleculeAction/RotateToPrincipalAxisSystemAction.cpp (modified)
	* src/Actions/MoleculeAction/SaveAdjacencyAction.cpp (modified)
	* src/Actions/MoleculeAction/SaveBondsAction.cpp (modified)
	* src/Actions/MoleculeAction/SaveSelectedMoleculesAction.cpp (modified)
	* src/Actions/MoleculeAction/SaveTemperatureAction.cpp (modified)
	* src/Actions/MoleculeAction/SuspendInWaterAction.cpp (modified)
	* src/Actions/MoleculeAction/VerletIntegrationAction.cpp (modified)
	* src/Actions/ParserAction/ParseTremoloPotentialsAction.cpp (modified)
	* src/Actions/ParserAction/SetOutputFormatsAction.cpp (modified)
	* src/Actions/ParserAction/SetTremoloAtomdataAction.cpp (modified)
	* src/Actions/RandomNumbersAction/SetRandomNumbersDistributionAction.cpp (modified)
	* src/Actions/RandomNumbersAction/SetRandomNumbersEngineAction.cpp (modified)
	* src/Actions/SelectionAction/Atoms/AllAtomsAction.cpp (modified)
	* src/Actions/SelectionAction/Atoms/AllAtomsInsideCuboidAction.cpp (modified)
	* src/Actions/SelectionAction/Atoms/AllAtomsInsideSphereAction.cpp (modified)
	* src/Actions/SelectionAction/Atoms/AllAtomsOfMoleculeAction.cpp (modified)
	* src/Actions/SelectionAction/Atoms/AtomByElementAction.cpp (modified)
	* src/Actions/SelectionAction/Atoms/AtomByIdAction.cpp (modified)
	* src/Actions/SelectionAction/Atoms/ClearAllAtomsAction.cpp (modified)
	* src/Actions/SelectionAction/Atoms/NotAllAtomsAction.cpp (modified)
	* src/Actions/SelectionAction/Atoms/NotAllAtomsInsideCuboidAction.cpp (modified)
	* src/Actions/SelectionAction/Atoms/NotAllAtomsInsideSphereAction.cpp (modified)
	* src/Actions/SelectionAction/Atoms/NotAllAtomsOfMoleculeAction.cpp (modified)
	* src/Actions/SelectionAction/Atoms/NotAtomByElementAction.cpp (modified)
	* src/Actions/SelectionAction/Atoms/NotAtomByIdAction.cpp (modified)
	* src/Actions/SelectionAction/Molecules/AllMoleculesAction.cpp (modified)
	* src/Actions/SelectionAction/Molecules/ClearAllMoleculesAction.cpp (modified)
	* src/Actions/SelectionAction/Molecules/MoleculeByFormulaAction.cpp (modified)
	* src/Actions/SelectionAction/Molecules/MoleculeByIdAction.cpp (modified)
	* src/Actions/SelectionAction/Molecules/MoleculeByNameAction.cpp (modified)
	* src/Actions/SelectionAction/Molecules/MoleculeByOrderAction.cpp (modified)
	* src/Actions/SelectionAction/Molecules/MoleculeOfAtomAction.cpp (modified)
	* src/Actions/SelectionAction/Molecules/NotAllMoleculesAction.cpp (modified)
	* src/Actions/SelectionAction/Molecules/NotMoleculeByFormulaAction.cpp (modified)
	* src/Actions/SelectionAction/Molecules/NotMoleculeByIdAction.cpp (modified)
	* src/Actions/SelectionAction/Molecules/NotMoleculeByNameAction.cpp (modified)
	* src/Actions/SelectionAction/Molecules/NotMoleculeByOrderAction.cpp (modified)
	* src/Actions/SelectionAction/Molecules/NotMoleculeOfAtomAction.cpp (modified)
	* src/Actions/TesselationAction/ConvexEnvelopeAction.cpp (modified)
	* src/Actions/TesselationAction/NonConvexEnvelopeAction.cpp (modified)
	* src/Actions/ValueStorage.cpp (modified)
	* src/Actions/WorldAction/InputAction.cpp (modified)
	* src/Actions/WorldAction/OutputAction.cpp (modified)
	* src/Actions/WorldAction/RepeatBoxAction.cpp (modified)
	* src/Actions/WorldAction/SetDefaultNameAction.cpp (modified)
	* src/Actions/WorldAction/SetWorldTimeAction.cpp (modified)
	* src/Analysis/analysis_bonds.cpp (modified)
	* src/Analysis/analysis_correlation.cpp (modified)
	* src/Analysis/analysis_correlation.hpp (modified)
	* src/Bond/GraphEdge.cpp (modified)
	* src/Bond/bond.cpp (modified)
	* src/Box.cpp (modified)
	* src/ConfigFileBuffer.cpp (modified)
	* src/Dynamics/MinimiseConstrainedPotential.cpp (modified)
	* src/Dynamics/VerletForceIntegration.hpp (modified)
	* src/Element/periodentafel.cpp (modified)
	* src/Fragmentation/AdaptivityMap.cpp (modified)
	* src/Fragmentation/BondsPerShortestPath.cpp (modified)
	* src/Fragmentation/EnergyMatrix.cpp (modified)
	* src/Fragmentation/ForceMatrix.cpp (modified)
	* src/Fragmentation/Fragmentation.cpp (modified)
	* src/Fragmentation/HessianMatrix.cpp (modified)
	* src/Fragmentation/KeySet.cpp (modified)
	* src/Fragmentation/KeySetsContainer.cpp (modified)
	* src/Fragmentation/MatrixContainer.cpp (modified)
	* src/Fragmentation/PowerSetGenerator.cpp (modified)
	* src/Fragmentation/UniqueFragments.cpp (modified)
	* src/Fragmentation/analyzer.cpp (modified)
	* src/Fragmentation/datacreator.cpp (modified)
	* src/Fragmentation/fragmentation_helpers.cpp (modified)
	* src/Fragmentation/helpers.cpp (modified)
	* src/Fragmentation/joiner.cpp (modified)
	* src/Graph/BondGraph.cpp (modified)
	* src/Graph/BondGraph.hpp (modified)
	* src/Graph/BreadthFirstSearchAdd.cpp (modified)
	* src/Graph/BuildInducedSubgraph.cpp (modified)
	* src/Graph/CyclicStructureAnalysis.cpp (modified)
	* src/Graph/DepthFirstSearchAnalysis.cpp (modified)
	* src/MoleculeLeafClass.cpp (modified)
	* src/Parser/ChangeTracker.cpp (modified)
	* src/Parser/FormatParserStorage.cpp (modified)
	* src/Parser/FormatParser_Parameters.cpp (modified)
	* src/Parser/MpqcParser.cpp (modified)
	* src/Parser/MpqcParser_Parameters.cpp (modified)
	* src/Parser/PcpParser.cpp (modified)
	* src/Parser/PdbParser.cpp (modified)
	* src/Parser/Psi3Parser.cpp (modified)
	* src/Parser/Psi3Parser_Parameters.cpp (modified)
	* src/Parser/TremoloParser.cpp (modified)
	* src/Parser/XyzParser.cpp (modified)
	* src/RandomNumbers/RandomNumberDistribution_Parameters.cpp (modified)
	* src/RandomNumbers/RandomNumberEngine_Parameters.cpp (modified)
	* src/Tesselation/BoundaryLineSet.cpp (modified)
	* src/Tesselation/BoundaryPointSet.cpp (modified)
	* src/Tesselation/BoundaryPolygonSet.cpp (modified)
	* src/Tesselation/BoundaryTriangleSet.cpp (modified)
	* src/Tesselation/CandidateForTesselation.cpp (modified)
	* src/Tesselation/boundary.cpp (modified)
	* src/Tesselation/ellipsoid.cpp (modified)
	* src/Tesselation/tesselation.cpp (modified)
	* src/Tesselation/tesselationhelpers.cpp (modified)
	* src/Tesselation/triangleintersectionlist.cpp (modified)
	* src/Tesselation/unittests/Tesselation_InsideOutsideUnitTest.cpp (modified)
	* src/Thermostats/Berendsen.cpp (modified)
	* src/Thermostats/GaussianThermostat.cpp (modified)
	* src/Thermostats/Langevin.cpp (modified)
	* src/Thermostats/NoseHoover.cpp (modified)
	* src/Thermostats/Woodcock.cpp (modified)
	* src/UIElements/CommandLineUI/CommandLineParser.cpp (modified)
	* src/UIElements/CommandLineUI/CommandLineWindow.cpp (modified)
	* src/UIElements/CommandLineUI/Query/AtomCommandLineQuery.cpp (modified)
	* src/UIElements/CommandLineUI/Query/AtomsCommandLineQuery.cpp (modified)
	* src/UIElements/CommandLineUI/Query/BooleanCommandLineQuery.cpp (modified)
	* src/UIElements/CommandLineUI/Query/BoxCommandLineQuery.cpp (modified)
	* src/UIElements/CommandLineUI/Query/DoubleCommandLineQuery.cpp (modified)
	* src/UIElements/CommandLineUI/Query/DoublesCommandLineQuery.cpp (modified)
	* src/UIElements/CommandLineUI/Query/ElementCommandLineQuery.cpp (modified)
	* src/UIElements/CommandLineUI/Query/ElementsCommandLineQuery.cpp (modified)
	* src/UIElements/CommandLineUI/Query/FileCommandLineQuery.cpp (modified)
	* src/UIElements/CommandLineUI/Query/IntCommandLineQuery.cpp (modified)
	* src/UIElements/CommandLineUI/Query/IntsCommandLineQuery.cpp (modified)
	* src/UIElements/CommandLineUI/Query/MoleculeCommandLineQuery.cpp (modified)
	* src/UIElements/CommandLineUI/Query/MoleculesCommandLineQuery.cpp (modified)
	* src/UIElements/CommandLineUI/Query/RandomNumberDistribution_ParametersCommandLineQuery.cpp (modified)
	* src/UIElements/CommandLineUI/Query/StringCommandLineQuery.cpp (modified)
	* src/UIElements/CommandLineUI/Query/StringsCommandLineQuery.cpp (modified)
	* src/UIElements/CommandLineUI/Query/UnsignedIntCommandLineQuery.cpp (modified)
	* src/UIElements/CommandLineUI/Query/UnsignedIntsCommandLineQuery.cpp (modified)
	* src/UIElements/CommandLineUI/Query/VectorCommandLineQuery.cpp (modified)
	* src/UIElements/CommandLineUI/Query/VectorsCommandLineQuery.cpp (modified)
	* src/UIElements/Dialog.cpp (modified)
	* src/UIElements/Menu/TextMenu/TextMenu.hpp (modified)
	* src/UIElements/Views/StreamStringView.hpp (modified)
	* src/atom_bondedparticle.cpp (modified)
	* src/atom_graphnode.cpp (modified)
	* src/builder_init.cpp (modified)
	* src/config.cpp (modified)
	* src/linkedcell.cpp (modified)
	* src/molecule.cpp (modified)
	* src/molecule_geometry.cpp (modified)
	* src/molecule_graph.cpp (modified)
	* src/moleculelist.cpp (modified)

	HUGE: Removed all calls to Log(), eLog(), replaced by LOG() and ...


Thu, 03 Nov 2011 19:44:01 GMT Frederik Heber <heber@…> [50e4e5]
	* tests/Fragmentations/Makefile.am (modified)
	* tests/Tesselations/Makefile.am (modified)
	* tests/regression/Makefile.am (modified)

	Test target installcheck-local now also runs parallel with up to 4 ...


Thu, 03 Nov 2011 19:44:01 GMT Frederik Heber <heber@…> [862b6a]
	* src/Actions/Action.cpp (modified)
	* src/Actions/Action.hpp (modified)
	* src/Actions/Action_impl_header.hpp (modified)
	* src/Actions/Action_impl_pre.hpp (modified)
	* src/builder_init.cpp (modified)

	All Actions are timed now, timings are given on exit.

	- Chronos is ...


Thu, 03 Nov 2011 19:21:42 GMT Frederik Heber <heber@…> [004ae7]
	* m4/bnv_have_qt.m4 (modified)
	* m4/boost.m4 (modified)

	FIX: Changes to bnv_have_qt.m4 and boost.m4.

	- moved search in /opt ...