#
# ChangeLog for src
#
# Generated by Trac 1.4.4
# Jan 15, 2025, 3:27:32 AM

Sat, 26 Jun 2010 11:59:50 GMT Tillmann Crueger <crueger@…> [63d2b8]
	* src/vector.cpp (modified)
	* src/vector.hpp (modified)

	Removed unused Vector::KeepPeriodic() method.


Sat, 26 Jun 2010 11:52:50 GMT Tillmann Crueger <crueger@…> [d10eb6]
	* src/Actions/WorldAction/RepeatBoxAction.cpp (modified)
	* src/Matrix.cpp (modified)
	* src/Matrix.hpp (modified)
	* src/analysis_correlation.cpp (modified)
	* src/boundary.cpp (modified)
	* src/helpers.cpp (modified)
	* src/helpers.hpp (modified)
	* src/molecule.cpp (modified)
	* src/molecule_fragmentation.cpp (modified)
	* src/molecule_geometry.cpp (modified)

	Made the ReturnFullMatrixForSymmetric return a Matrix object ...


Sat, 26 Jun 2010 11:40:12 GMT Tillmann Crueger <crueger@…> [f66b67]
	* src/helpers.cpp (modified)
	* src/helpers.hpp (modified)

	Removed InverseMatrix() function from helpers.cpp


Sat, 26 Jun 2010 11:33:17 GMT Tillmann Crueger <crueger@…> [d0f111]
	* src/molecule_geometry.cpp (modified)
	* src/vector.cpp (modified)
	* src/vector.hpp (modified)

	Changed Vector::WrapPeriodically to use matrixes instead of double*


Sat, 26 Jun 2010 11:17:50 GMT Tillmann Crueger <crueger@…> [2f1a7a]
	* src/vector.cpp (modified)
	* src/vector.hpp (modified)

	Removed Vector::InverseMatrixMultiplication() method


Sat, 26 Jun 2010 11:03:06 GMT Tillmann Crueger <crueger@…> [c7b39a]
	* src/Helpers/MemDebug.cpp (modified)
	* src/Helpers/MemDebug.hpp (modified)
	* src/UIElements/TextUI/TextWindow.hpp (modified)

	Merge branch 'StructureRefactoring' into VectorRefactoring


Sat, 26 Jun 2010 11:01:57 GMT Tillmann Crueger <crueger@…> [f0f1cc]
	* src/Helpers/MemDebug.cpp (modified)
	* src/Helpers/MemDebug.hpp (modified)

	Simplified the #ifdef and #define structure in MemDebug.hpp


Sat, 26 Jun 2010 10:45:09 GMT Tillmann Crueger <crueger@…> [daa5f1]
	* src/UIElements/TextUI/TextWindow.hpp (modified)

	Added forgotten include in TextWindow.hpp


Fri, 25 Jun 2010 15:54:48 GMT Tillmann Crueger <crueger@…> [33d774]
	* src/Actions/MapOfActions.cpp (modified)
	* src/Actions/MapOfActions.hpp (modified)
	* src/Actions/MoleculeAction/ChangeNameAction.cpp (modified)
	* src/Makefile.am (modified)
	* src/UIElements/CommandLineUI/CommandLineWindow.cpp (modified)
	* src/UIElements/TextUI/TextWindow.cpp (modified)
	* src/UIElements/TextUI/TextWindow.hpp (modified)
	* src/builder.cpp (modified)

	Merge branch 'StructureRefactoring' into VectorRefactoring
 ...


Fri, 25 Jun 2010 15:27:35 GMT Tillmann Crueger <crueger@…> [c94eeb]
	* src/Actions/WorldAction/RepeatBoxAction.cpp (modified)
	* src/analysis_correlation.cpp (modified)
	* src/boundary.cpp (modified)
	* src/ellipsoid.cpp (modified)
	* src/molecule.cpp (modified)
	* src/molecule_fragmentation.cpp (modified)
	* src/molecule_geometry.cpp (modified)
	* src/vector.cpp (modified)
	* src/vector.hpp (modified)

	Replaced several double* that were used as Matrixes with actuall ...


Fri, 25 Jun 2010 14:27:26 GMT Tillmann Crueger <crueger@…> [0c5eeb]
	* src/Actions/MapOfActions.cpp (modified)
	* src/Actions/MapOfActions.hpp (modified)
	* src/Actions/MoleculeAction/ChangeNameAction.cpp (modified)
	* src/Makefile.am (modified)
	* src/UIElements/CommandLineUI/CommandLineWindow.cpp (modified)
	* src/UIElements/TextUI/TextWindow.cpp (modified)
	* src/UIElements/TextUI/TextWindow.hpp (modified)
	* src/builder.cpp (modified)

	Merge branch 'stable' into StructureRefactoring


Fri, 25 Jun 2010 13:44:07 GMT Tillmann Crueger <crueger@…> [325390]
	* src/Exceptions/NotInvertibleException.cpp (added)
	* src/Exceptions/NotInvertibleException.hpp (added)
	* src/Makefile.am (modified)
	* src/Matrix.cpp (added)
	* src/Matrix.hpp (added)
	* src/vector.cpp (modified)
	* src/vector.hpp (modified)

	Started work on basic matrix class to be used with Vector class


Fri, 25 Jun 2010 13:04:13 GMT Frederik Heber <heber@…> [326bbe]
	* src/Actions/MapOfActions.cpp (modified)
	* src/Actions/MapOfActions.hpp (modified)
	* src/Actions/MoleculeAction/ChangeNameAction.cpp (modified)
	* src/Makefile.am (modified)
	* src/UIElements/CommandLineUI/CommandLineWindow.cpp (modified)
	* src/UIElements/TextUI/TextWindow.cpp (modified)
	* src/UIElements/TextUI/TextWindow.hpp (modified)
	* src/builder.cpp (modified)

	Legacy/oldmenu is no more.

	- TextWindow::TextWindow() now properly ...


Fri, 25 Jun 2010 10:29:57 GMT Tillmann Crueger <crueger@…> [923b6c]
	* src/vector.cpp (modified)

	Used BLAS support of GSL to calculate scalarProducts


Fri, 25 Jun 2010 10:17:22 GMT Tillmann Crueger <crueger@…> [93987b]
	* src/vector.cpp (modified)

	Made the Vector use more gsl-operations internally


Fri, 25 Jun 2010 09:42:28 GMT Tillmann Crueger <crueger@…> [0d1ad0]
	* src/Actions/ActionRegistry.cpp (modified)
	* src/Actions/ActionRegistry.hpp (modified)
	* src/Actions/CmdAction/BondLengthTableAction.cpp (modified)
	* src/Actions/FragmentationAction/DepthFirstSearchAction.cpp (modified)
	* src/Actions/FragmentationAction/FragmentationAction.cpp (modified)
	* src/Actions/Makefile.am (modified)
	* src/Actions/MapOfActions.cpp (modified)
	* src/Actions/MoleculeAction/FillWithMoleculeAction.cpp (modified)
	* src/Actions/MoleculeAction/LinearInterpolationofTrajectoriesAction.cpp (modified)
	* src/Actions/MoleculeAction/SaveAdjacencyAction.cpp (modified)
	* src/Actions/MoleculeAction/SaveBondsAction.cpp (modified)
	* src/Actions/ParserAction/LoadXyzAction.cpp (modified)
	* src/Actions/WorldAction/InputAction.cpp (added)
	* src/Actions/WorldAction/InputAction.hpp (added)
	* src/Actions/WorldAction/OutputAction.cpp (added)
	* src/Actions/WorldAction/OutputAction.hpp (added)
	* src/CommandLineParser.cpp (modified)
	* src/ConfigFileBuffer.cpp (added)
	* src/ConfigFileBuffer.hpp (added)
	* src/Legacy/oldmenu.cpp (modified)
	* src/Makefile.am (modified)
	* src/Parser/ChangeTracker.cpp (modified)
	* src/Parser/ChangeTracker.hpp (modified)
	* src/Parser/FormatParser.cpp (modified)
	* src/Parser/FormatParserStorage.cpp (added)
	* src/Parser/FormatParserStorage.hpp (added)
	* src/Parser/MpqcParser.cpp (added)
	* src/Parser/MpqcParser.hpp (added)
	* src/Parser/PcpParser.cpp (added)
	* src/Parser/PcpParser.hpp (added)
	* src/Parser/TremoloParser.cpp (modified)
	* src/Parser/TremoloParser.hpp (modified)
	* src/Parser/XyzParser.cpp (modified)
	* src/Parser/XyzParser.hpp (modified)
	* src/ThermoStatContainer.cpp (added)
	* src/ThermoStatContainer.hpp (added)
	* src/UIElements/CommandLineUI/CommandLineWindow.cpp (modified)
	* src/World.cpp (modified)
	* src/World.hpp (modified)
	* src/atom.cpp (modified)
	* src/atom.hpp (modified)
	* src/atom_trajectoryparticle.cpp (modified)
	* src/builder.cpp (modified)
	* src/config.cpp (modified)
	* src/config.hpp (modified)
	* src/molecule.cpp (modified)
	* src/molecule.hpp (modified)
	* src/molecule_dynamics.cpp (modified)
	* src/molecule_fragmentation.cpp (modified)
	* src/molecule_graph.cpp (modified)
	* src/moleculelist.cpp (modified)
	* src/periodentafel.cpp (modified)
	* src/unittests/LinkedCellUnitTest.cpp (modified)
	* src/unittests/Makefile.am (modified)
	* src/unittests/ParserUnitTest.cpp (modified)
	* src/unittests/ParserUnitTest.hpp (modified)
	* tests/regression/Domain/6/post/test-x.conf.xyz (modified)
	* tests/regression/Domain/6/post/test-y.conf.xyz (modified)
	* tests/regression/Domain/6/post/test-z.conf.xyz (modified)
	* tests/regression/Domain/6/post/test.conf.xyz (modified)
	* tests/regression/Filling/1/post/test.conf (modified)
	* tests/regression/Simple_configuration/2/post/test.conf.xyz (modified)
	* tests/regression/Simple_configuration/3/post/test.conf.xyz (modified)
	* tests/regression/Simple_configuration/4/post/test.conf (modified)
	* tests/regression/Simple_configuration/4/post/test.conf.xyz (modified)
	* tests/regression/Simple_configuration/5/post/test.conf (modified)
	* tests/regression/Simple_configuration/8/post/test.conf.xyz (modified)
	* tests/regression/testsuite-fragmentation.at (modified)
	* tests/regression/testsuite-simple_configuration.at (modified)
	* tests/regression/testsuite-standard_options.at (modified)

	Merge branch 'stable' into StructureRefactoring

	Conflicts:
	        ...


Fri, 25 Jun 2010 08:31:18 GMT Frederik Heber <heber@…> [a356f2]
	* src/builder.cpp (modified)

	Cleaned up builder.cpp

	- ParseComandLineOptions() along with the ...


Fri, 25 Jun 2010 08:11:20 GMT Frederik Heber <heber@…> [4f7f34e]
	* src/Actions/Makefile.am (modified)
	* src/Actions/MapOfActions.cpp (modified)
	* src/Actions/WorldAction/InputAction.cpp (added)
	* src/Actions/WorldAction/InputAction.hpp (added)
	* src/Actions/WorldAction/OutputAction.cpp (added)
	* src/Actions/WorldAction/OutputAction.hpp (added)
	* src/CommandLineParser.cpp (modified)
	* src/Makefile.am (modified)
	* src/UIElements/CommandLineUI/CommandLineWindow.cpp (modified)
	* src/builder.cpp (modified)
	* tests/regression/testsuite-simple_configuration.at (modified)
	* tests/regression/testsuite-standard_options.at (modified)

	ParseCommandLineOptions() is not used anymore.

	- new Actions ...


Fri, 25 Jun 2010 08:08:59 GMT Frederik Heber <heber@…> [d0fbec]
	* src/Actions/ActionRegistry.cpp (modified)
	* src/Actions/ActionRegistry.hpp (modified)

	Added const_iterator get[Begin\End]Iter() and ostream& operator << to ...


Thu, 24 Jun 2010 14:31:45 GMT Tillmann Crueger <crueger@…> [6d574a]
	* src/Descriptors/AtomDescriptor.cpp (modified)
	* src/Descriptors/MoleculeDescriptor.cpp (modified)
	* src/Helpers/MemDebug.cpp (modified)
	* src/Patterns/Singleton.hpp (modified)
	* src/Patterns/Singleton_impl.hpp (modified)
	* src/UIElements/Dialog.cpp (modified)
	* src/World.cpp (modified)
	* src/tesselation.cpp (modified)
	* src/unittests/Makefile.am (modified)
	* src/unittests/manipulateAtomsTest.cpp (modified)

	Replaced several old-style asserts with more usable ASSERTs


Thu, 24 Jun 2010 13:21:26 GMT Tillmann Crueger <crueger@…> [906822]
	* src/molecule.cpp (modified)

	Removed forgotten debug message


Thu, 24 Jun 2010 12:33:24 GMT Tillmann Crueger <crueger@…> [7a176b]
	* src/unittests/ObserverTest.cpp (modified)

	Repaired ObserverUnittest for -DNDEBUG build mode


Wed, 23 Jun 2010 15:52:50 GMT Frederik Heber <heber@…> [35b698]
	* src/Actions/FragmentationAction/FragmentationAction.cpp (modified)
	* src/Actions/MapOfActions.cpp (modified)
	* src/Actions/MoleculeAction/FillWithMoleculeAction.cpp (modified)
	* src/Actions/MoleculeAction/LinearInterpolationofTrajectoriesAction.cpp (modified)
	* src/Actions/MoleculeAction/SaveAdjacencyAction.cpp (modified)
	* src/Actions/MoleculeAction/SaveBondsAction.cpp (modified)
	* src/Legacy/oldmenu.cpp (modified)
	* src/Makefile.am (modified)
	* src/Parser/PcpParser.cpp (modified)
	* src/Parser/PcpParser.hpp (modified)
	* src/World.cpp (modified)
	* src/builder.cpp (modified)
	* src/config.cpp (modified)
	* src/config.hpp (modified)
	* src/molecule.cpp (modified)
	* src/molecule.hpp (modified)
	* src/molecule_dynamics.cpp (modified)
	* src/molecule_fragmentation.cpp (modified)
	* src/molecule_graph.cpp (modified)
	* src/moleculelist.cpp (modified)
	* src/unittests/Makefile.am (modified)
	* tests/regression/Domain/6/post/test-x.conf.xyz (modified)
	* tests/regression/Domain/6/post/test-y.conf.xyz (modified)
	* tests/regression/Domain/6/post/test-z.conf.xyz (modified)
	* tests/regression/Domain/6/post/test.conf.xyz (modified)
	* tests/regression/Filling/1/post/test.conf (modified)
	* tests/regression/Simple_configuration/2/post/test.conf.xyz (modified)
	* tests/regression/Simple_configuration/3/post/test.conf.xyz (modified)
	* tests/regression/Simple_configuration/4/post/test.conf (modified)
	* tests/regression/Simple_configuration/4/post/test.conf.xyz (modified)
	* tests/regression/Simple_configuration/5/post/test.conf (modified)
	* tests/regression/Simple_configuration/8/post/test.conf.xyz (modified)
	* tests/regression/testsuite-fragmentation.at (modified)

	BIG CHANGE: config::load and config::save in ...


Wed, 23 Jun 2010 10:35:25 GMT Frederik Heber <heber@…> [dc0d21]
	* src/Parser/FormatParserStorage.cpp (modified)
	* src/Parser/FormatParserStorage.hpp (modified)

	FIXes to FormatParserStorage.

	- renamed Add..() to add..()
	- new ...


Wed, 23 Jun 2010 08:51:33 GMT Frederik Heber <heber@…> [df481f]
	* src/Parser/XyzParser.cpp (modified)

	BUGFIX: XyzParser::save() - substr needs to be (0, pos), not just ...


Tue, 22 Jun 2010 15:33:06 GMT Frederik Heber <heber@…> [2fd80b5]
	* src/Parser/MpqcParser.cpp (modified)
	* src/Parser/PcpParser.cpp (modified)
	* src/Parser/XyzParser.cpp (modified)
	* src/unittests/ParserUnitTest.cpp (modified)

	FIXES: ParserUnitTest was broken

	- XyzParser: ctime returns ...


Tue, 22 Jun 2010 14:09:14 GMT Frederik Heber <heber@…> [52baf9]
	* src/Makefile.am (modified)
	* src/Parser/FormatParserStorage.cpp (added)
	* src/Parser/FormatParserStorage.hpp (added)
	* src/Parser/MpqcParser.cpp (modified)
	* src/Parser/MpqcParser.hpp (modified)
	* src/Parser/TremoloParser.cpp (modified)

	new class FormatParserStorage takes care of allocation, uniqueness ...


Tue, 22 Jun 2010 09:33:48 GMT Frederik Heber <heber@…> [4ac1aa]
	* src/unittests/LinkedCellUnitTest.cpp (modified)

	Removed two unused variables.


Tue, 22 Jun 2010 09:30:03 GMT Frederik Heber <heber@…> [650ca8c]
	* src/Parser/PcpParser.cpp (modified)
	* src/Parser/PcpParser.hpp (modified)

	FIX: PcpParser had wrong default values for testsuite cases, number ...


Tue, 22 Jun 2010 09:29:01 GMT Frederik Heber <heber@…> [1434c9]
	* src/Parser/XyzParser.cpp (modified)

	FIX: XyzParser needed comment and correctly formatted numbers to pass ...


Tue, 22 Jun 2010 09:24:54 GMT Frederik Heber <heber@…> [d6b8e1]
	* src/Parser/MpqcParser.cpp (modified)

	FIX: center calculation was missing in order to pass testsuite cases.


Mon, 21 Jun 2010 14:07:25 GMT Frederik Heber <heber@…> [d3dff06]
	* src/periodentafel.cpp (modified)

	Merge branch 'stable' into PcpAndMpqcParser


Mon, 21 Jun 2010 14:06:43 GMT Frederik Heber <heber@…> [f34c23]
	* src/periodentafel.cpp (modified)

	MEMFIX: Periodentafel constructor would instantiate stringstreams in ...


Mon, 21 Jun 2010 14:05:58 GMT Frederik Heber <heber@…> [61b5f0]
	* src/periodentafel.cpp (modified)

	MEMFIX: When periodentafel::LoadElementsDatabase() is called again, ...


Mon, 21 Jun 2010 13:07:58 GMT Frederik Heber <heber@…> [a1e929]
	* src/Actions/MapOfActions.cpp (modified)
	* src/Actions/ParserAction/LoadXyzAction.cpp (modified)
	* src/Parser/TremoloParser.hpp (modified)
	* src/Parser/XyzParser.cpp (modified)
	* src/Parser/XyzParser.hpp (modified)
	* src/UIElements/CommandLineUI/CommandLineWindow.cpp (modified)
	* src/builder.cpp (modified)

	Case 'p' is now handled by CommandLineUI.

	- ~XyzParser() did ...


Mon, 21 Jun 2010 12:56:35 GMT Frederik Heber <heber@…> [2f40c0e]
	* src/Parser/ChangeTracker.cpp (modified)
	* src/Parser/ChangeTracker.hpp (modified)
	* src/Parser/FormatParser.cpp (modified)
	* src/unittests/ParserUnitTest.cpp (modified)

	ChangeTracker now uses the Singleton pattern.

	- ChangeTracker is ...


Mon, 21 Jun 2010 07:56:00 GMT Frederik Heber <heber@…> [55240c4]
	* doc/Doxyfile (modified)
	* src/Actions/Action.cpp (modified)
	* src/Actions/ActionHistory.cpp (modified)
	* src/Actions/ActionRegistry.cpp (modified)
	* src/Actions/ActionSequence.cpp (modified)
	* src/Actions/AnalysisAction/MolecularVolumeAction.cpp (modified)
	* src/Actions/AnalysisAction/PairCorrelationAction.cpp (modified)
	* src/Actions/AnalysisAction/PrincipalAxisSystemAction.cpp (modified)
	* src/Actions/AtomAction/AddAction.cpp (modified)
	* src/Actions/AtomAction/ChangeElementAction.cpp (modified)
	* src/Actions/AtomAction/RemoveAction.cpp (modified)
	* src/Actions/CmdAction/BondLengthTableAction.cpp (modified)
	* src/Actions/CmdAction/ElementDbAction.cpp (modified)
	* src/Actions/CmdAction/FastParsingAction.cpp (modified)
	* src/Actions/CmdAction/HelpAction.cpp (modified)
	* src/Actions/CmdAction/VerboseAction.cpp (modified)
	* src/Actions/CmdAction/VersionAction.cpp (modified)
	* src/Actions/ErrorAction.cpp (modified)
	* src/Actions/FragmentationAction/DepthFirstSearchAction.cpp (modified)
	* src/Actions/FragmentationAction/FragmentationAction.cpp (modified)
	* src/Actions/FragmentationAction/SubgraphDissectionAction.cpp (modified)
	* src/Actions/MakroAction.cpp (modified)
	* src/Actions/ManipulateAtomsProcess.cpp (modified)
	* src/Actions/MapOfActions.cpp (modified)
	* src/Actions/MethodAction.cpp (modified)
	* src/Actions/MoleculeAction/BondFileAction.cpp (modified)
	* src/Actions/MoleculeAction/ChangeNameAction.cpp (modified)
	* src/Actions/MoleculeAction/FillWithMoleculeAction.cpp (modified)
	* src/Actions/MoleculeAction/LinearInterpolationofTrajectoriesAction.cpp (modified)
	* src/Actions/MoleculeAction/RotateToPrincipalAxisSystemAction.cpp (modified)
	* src/Actions/MoleculeAction/SaveAdjacencyAction.cpp (modified)
	* src/Actions/MoleculeAction/SaveBondsAction.cpp (modified)
	* src/Actions/MoleculeAction/SaveTemperatureAction.cpp (modified)
	* src/Actions/MoleculeAction/SuspendInWaterAction.cpp (modified)
	* src/Actions/MoleculeAction/TranslateAction.cpp (modified)
	* src/Actions/MoleculeAction/VerletIntegrationAction.cpp (modified)
	* src/Actions/ParserAction/LoadXyzAction.cpp (modified)
	* src/Actions/ParserAction/SaveXyzAction.cpp (modified)
	* src/Actions/Process.cpp (modified)
	* src/Actions/TesselationAction/ConvexEnvelopeAction.cpp (modified)
	* src/Actions/TesselationAction/NonConvexEnvelopeAction.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/RemoveSphereOfAtomsAction.cpp (modified)
	* src/Actions/WorldAction/RepeatBoxAction.cpp (modified)
	* src/Actions/WorldAction/ScaleBoxAction.cpp (modified)
	* src/Actions/WorldAction/SetDefaultNameAction.cpp (modified)
	* src/Actions/WorldAction/SetGaussianBasisAction.cpp (modified)
	* src/CommandLineParser.cpp (modified)
	* src/Descriptors/AtomDescriptor.cpp (modified)
	* src/Descriptors/AtomIdDescriptor.cpp (modified)
	* src/Descriptors/AtomTypeDescriptor.cpp (modified)
	* src/Descriptors/MoleculeDescriptor.cpp (modified)
	* src/Descriptors/MoleculeIdDescriptor.cpp (modified)
	* src/Descriptors/MoleculePtrDescriptor.cpp (modified)
	* src/Exceptions/CustomException.cpp (modified)
	* src/Exceptions/LinearDependenceException.cpp (modified)
	* src/Exceptions/MathException.cpp (modified)
	* src/Exceptions/MultipleSolutionsException.hpp (added)
	* src/Exceptions/SkewException.cpp (added)
	* src/Exceptions/SkewException.hpp (added)
	* src/Exceptions/ZeroVectorException.cpp (modified)
	* src/Hbondangle.db (modified)
	* src/Hbonddistance.db (modified)
	* src/Helpers/Assert.cpp (modified)
	* src/Helpers/MemDebug.cpp (modified)
	* src/Helpers/MemDebug.hpp (modified)
	* src/Legacy/oldmenu.cpp (modified)
	* src/Line.cpp (modified)
	* src/Line.hpp (modified)
	* src/Makefile.am (modified)
	* src/Parser/ChangeTracker.cpp (modified)
	* src/Parser/FormatParser.cpp (modified)
	* src/Parser/TremoloParser.cpp (modified)
	* src/Parser/XyzParser.cpp (modified)
	* src/Patterns/Cacheable.hpp (modified)
	* src/Patterns/ObservedIterator.hpp (modified)
	* src/Patterns/Observer.cpp (modified)
	* src/Patterns/Observer.hpp (modified)
	* src/Plane.cpp (modified)
	* src/Plane.hpp (modified)
	* src/Space.cpp (modified)
	* src/Space.hpp (modified)
	* src/UIElements/CommandLineUI/CommandLineDialog.cpp (modified)
	* src/UIElements/CommandLineUI/CommandLineStatusIndicator.cpp (modified)
	* src/UIElements/CommandLineUI/CommandLineUIFactory.cpp (modified)
	* src/UIElements/CommandLineUI/CommandLineUIFactory.hpp (modified)
	* src/UIElements/CommandLineUI/CommandLineWindow.cpp (modified)
	* src/UIElements/Dialog.cpp (modified)
	* src/UIElements/MainWindow.cpp (modified)
	* src/UIElements/Menu/ActionMenuItem.cpp (modified)
	* src/UIElements/Menu/DisplayMenuItem.cpp (modified)
	* src/UIElements/Menu/Menu.cpp (modified)
	* src/UIElements/Menu/MenuItem.cpp (modified)
	* src/UIElements/Menu/SeperatorItem.cpp (modified)
	* src/UIElements/Menu/SubMenuItem.cpp (modified)
	* src/UIElements/Menu/TextMenu.cpp (modified)
	* src/UIElements/TextUI/TextDialog.cpp (modified)
	* src/UIElements/TextUI/TextStatusIndicator.cpp (modified)
	* src/UIElements/TextUI/TextUIFactory.cpp (modified)
	* src/UIElements/TextUI/TextUIFactory.hpp (modified)
	* src/UIElements/TextUI/TextWindow.cpp (modified)
	* src/UIElements/UIFactory.cpp (modified)
	* src/UIElements/UIFactory.hpp (modified)
	* src/UIElements/Views/MethodStringView.cpp (modified)
	* src/UIElements/Views/StreamStringView.cpp (modified)
	* src/UIElements/Views/StringView.cpp (modified)
	* src/UIElements/Views/View.cpp (modified)
	* src/VectorSet.cpp (added)
	* src/VectorSet.hpp (added)
	* src/World.cpp (modified)
	* src/analysis_bonds.cpp (modified)
	* src/analysis_correlation.cpp (modified)
	* src/analyzer.cpp (modified)
	* src/atom.cpp (modified)
	* src/atom.hpp (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_particleinfo.cpp (modified)
	* src/atom_trajectoryparticle.cpp (modified)
	* src/atom_trajectoryparticleinfo.cpp (modified)
	* src/atom_trajectoryparticleinfo.hpp (modified)
	* src/bond.cpp (modified)
	* src/bondgraph.cpp (modified)
	* src/boundary.cpp (modified)
	* src/builder.cpp (modified)
	* src/config.cpp (modified)
	* src/datacreator.cpp (modified)
	* src/element.cpp (modified)
	* src/elements_db.cpp (modified)
	* src/ellipsoid.cpp (modified)
	* src/errorlogger.cpp (modified)
	* src/graph.cpp (modified)
	* src/gslmatrix.cpp (modified)
	* src/gslvector.cpp (modified)
	* src/gslvector.hpp (modified)
	* src/helpers.cpp (modified)
	* src/info.cpp (modified)
	* src/joiner.cpp (modified)
	* src/leastsquaremin.cpp (modified)
	* src/linearsystemofequations.cpp (modified)
	* src/linkedcell.cpp (modified)
	* src/log.cpp (modified)
	* src/logger.cpp (modified)
	* src/memoryallocator.cpp (modified)
	* src/memoryusageobserver.cpp (modified)
	* src/molecule.cpp (modified)
	* src/molecule.hpp (modified)
	* src/molecule_dynamics.cpp (modified)
	* src/molecule_fragmentation.cpp (modified)
	* src/molecule_geometry.cpp (modified)
	* src/molecule_graph.cpp (modified)
	* src/molecule_pointcloud.cpp (modified)
	* src/moleculelist.cpp (modified)
	* src/orbitals.db (modified)
	* src/parser.cpp (modified)
	* src/periodentafel.cpp (modified)
	* src/tesselation.cpp (modified)
	* src/tesselationhelpers.cpp (modified)
	* src/triangleintersectionlist.cpp (modified)
	* src/unittests/CacheableTest.cpp (modified)
	* src/unittests/LineUnittest.cpp (added)
	* src/unittests/LineUnittest.hpp (added)
	* src/unittests/Makefile.am (modified)
	* src/unittests/ObserverTest.cpp (modified)
	* src/unittests/PlaneUnittest.cpp (modified)
	* src/unittests/PlaneUnittest.hpp (modified)
	* src/unittests/listofbondsunittest.cpp (modified)
	* src/unittests/manipulateAtomsTest.cpp (modified)
	* src/unittests/vectorunittest.cpp (modified)
	* src/unittests/vectorunittest.hpp (modified)
	* src/valence.db (modified)
	* src/vector.cpp (modified)
	* src/vector.hpp (modified)
	* src/vector_ops.cpp (modified)
	* src/vector_ops.hpp (modified)
	* src/verbose.cpp (modified)
	* tests/regression/Domain/2/post/test.conf (modified)
	* tests/regression/Domain/3/post/test.conf (modified)
	* tests/regression/Domain/4/post/test.conf (modified)
	* tests/regression/Domain/5/post/test.conf (modified)
	* tests/regression/Filling/1/post/test.conf (modified)
	* tests/regression/Filling/1/pre/test.conf (modified)
	* tests/regression/Molecules/6/post/test.conf (modified)
	* tests/regression/Molecules/6/pre/test.conf (modified)
	* tests/regression/Molecules/7/post/test.conf (modified)
	* tests/regression/Molecules/7/pre/test.conf (modified)
	* tests/regression/Simple_configuration/2/post/test.conf (modified)
	* tests/regression/Simple_configuration/3/post/test.conf (modified)
	* tests/regression/Simple_configuration/4/post/test.conf (modified)
	* tests/regression/Simple_configuration/5/post/test.conf (modified)
	* tests/regression/Tesselation/3/post/NonConvexEnvelope.dat (modified)
	* tests/regression/Tesselation/3/post/NonConvexEnvelope.r3d (modified)
	* tests/regression/testsuite-tesselation.at (modified)

	Merge branch 'stable' into PcpAndMpqcParser

	Conflicts:
	        ...


Sat, 19 Jun 2010 15:58:32 GMT Frederik Heber <heber@…> [da3024]
	* src/Actions/Process.cpp (modified)
	* src/Actions/WorldAction/RepeatBoxAction.cpp (modified)
	* src/builder.cpp (modified)

	Fixed various compiler warnings.

	- Process::Process() - Action and ...


Sat, 19 Jun 2010 15:54:47 GMT Frederik Heber <heber@…> [274d45]
	* src/Hbondangle.db (modified)
	* src/Hbonddistance.db (modified)
	* src/config.cpp (modified)
	* src/molecule.cpp (modified)
	* src/molecule.hpp (modified)
	* src/molecule_pointcloud.cpp (modified)
	* src/moleculelist.cpp (modified)
	* src/orbitals.db (modified)
	* src/periodentafel.cpp (modified)
	* src/valence.db (modified)
	* tests/regression/Domain/2/post/test.conf (modified)
	* tests/regression/Domain/3/post/test.conf (modified)
	* tests/regression/Domain/4/post/test.conf (modified)
	* tests/regression/Domain/5/post/test.conf (modified)
	* tests/regression/Filling/1/post/test.conf (modified)
	* tests/regression/Filling/1/pre/test.conf (modified)
	* tests/regression/Molecules/6/post/test.conf (modified)
	* tests/regression/Molecules/6/pre/test.conf (modified)
	* tests/regression/Molecules/7/post/test.conf (modified)
	* tests/regression/Molecules/7/pre/test.conf (modified)
	* tests/regression/Simple_configuration/2/post/test.conf (modified)
	* tests/regression/Simple_configuration/3/post/test.conf (modified)
	* tests/regression/Simple_configuration/4/post/test.conf (modified)
	* tests/regression/Simple_configuration/5/post/test.conf (modified)
	* tests/regression/Tesselation/3/post/NonConvexEnvelope.dat (modified)
	* tests/regression/Tesselation/3/post/NonConvexEnvelope.r3d (modified)
	* tests/regression/testsuite-tesselation.at (modified)

	FIX: Atoms were stored not in the sequence they were loaded.

	1. The ...


Sat, 19 Jun 2010 12:13:45 GMT Frederik Heber <heber@…> [ad2b411]
	* src/atom.cpp (modified)
	* src/atom.hpp (modified)

	atom::getId() should be a const function as it changes nothing in the ...


Sat, 19 Jun 2010 12:10:47 GMT Frederik Heber <heber@…> [f2cefdb]
	* src/Patterns/ObservedIterator.hpp (modified)

	FIX: ObservedIterator::operator--() (prefix) was missing return ...


Thu, 17 Jun 2010 15:12:54 GMT Tillmann Crueger <crueger@…> [d386e8]
	* src/VectorSet.cpp (added)
	* src/VectorSet.hpp (added)
	* src/atom_trajectoryparticleinfo.hpp (modified)

	Merge branch 'VectorSetMixin' into stable


Thu, 17 Jun 2010 15:09:22 GMT Tillmann Crueger <crueger@…> [1dc9ec]
	* src/gslvector.cpp (modified)
	* src/gslvector.hpp (modified)
	* src/linearsystemofequations.cpp (modified)
	* src/vector.cpp (modified)
	* src/vector.hpp (modified)

	Merge branch 'VectorRefactoring' into stable

	Conflicts:
	        ...


Thu, 17 Jun 2010 12:56:48 GMT Tillmann Crueger <crueger@…> [5f5a7b]
	* src/UIElements/CommandLineUI/CommandLineUIFactory.cpp (modified)
	* src/UIElements/CommandLineUI/CommandLineUIFactory.hpp (modified)
	* src/UIElements/TextUI/TextUIFactory.cpp (modified)
	* src/UIElements/TextUI/TextUIFactory.hpp (modified)
	* src/UIElements/UIFactory.cpp (modified)
	* src/UIElements/UIFactory.hpp (modified)
	* src/builder.cpp (modified)

	Merge branch 'MenuRefactoring' into stable

	Conflicts:
	        ...


Thu, 17 Jun 2010 12:25:43 GMT Tillmann Crueger <crueger@…> [fc6053]
	* src/Helpers/MemDebug.cpp (modified)

	Made the complete MemDebug file conditional, to speed up compilation


Thu, 17 Jun 2010 11:55:29 GMT Tillmann Crueger <crueger@…> [492279]
	* src/Helpers/MemDebug.cpp (modified)

	FIX: Repaired MemDebug to use safe (C-Style) pthread-mutexes instead ...


Wed, 16 Jun 2010 12:24:21 GMT Tillmann Crueger <crueger@…> [e6317b]
	* configure.ac (modified)
	* src/Actions/ActionRegistry.cpp (modified)
	* src/Actions/ActionRegistry.hpp (modified)
	* src/Actions/AnalysisAction/MolecularVolumeAction.cpp (modified)
	* src/Actions/AnalysisAction/PairCorrelationAction.cpp (modified)
	* src/Actions/AnalysisAction/PairCorrelationToPointAction.cpp (deleted)
	* src/Actions/AnalysisAction/PairCorrelationToPointAction.hpp (deleted)
	* src/Actions/AnalysisAction/PairCorrelationToSurfaceAction.cpp (deleted)
	* src/Actions/AnalysisAction/PairCorrelationToSurfaceAction.hpp (deleted)
	* src/Actions/AnalysisAction/PrincipalAxisSystemAction.cpp (modified)
	* src/Actions/AtomAction/AddAction.cpp (modified)
	* src/Actions/AtomAction/ChangeElementAction.cpp (modified)
	* src/Actions/AtomAction/RemoveAction.cpp (modified)
	* src/Actions/CmdAction/BondLengthTableAction.cpp (modified)
	* src/Actions/CmdAction/ElementDbAction.cpp (modified)
	* src/Actions/CmdAction/FastParsingAction.cpp (modified)
	* src/Actions/CmdAction/VerboseAction.cpp (modified)
	* src/Actions/CmdAction/VersionAction.cpp (modified)
	* src/Actions/FragmentationAction/DepthFirstSearchAction.cpp (modified)
	* src/Actions/FragmentationAction/FragmentationAction.cpp (modified)
	* src/Actions/FragmentationAction/SubgraphDissectionAction.cpp (modified)
	* src/Actions/Makefile.am (modified)
	* src/Actions/MapOfActions.cpp (modified)
	* src/Actions/MapOfActions.hpp (modified)
	* src/Actions/MoleculeAction/FillWithMoleculeAction.cpp (modified)
	* src/Actions/MoleculeAction/LinearInterpolationofTrajectoriesAction.cpp (modified)
	* src/Actions/MoleculeAction/TranslateAction.cpp (modified)
	* src/Actions/TesselationAction/ConvexEnvelopeAction.cpp (modified)
	* src/Actions/TesselationAction/NonConvexEnvelopeAction.cpp (modified)
	* src/Actions/Values.hpp (added)
	* 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/RemoveSphereOfAtomsAction.cpp (modified)
	* src/Actions/WorldAction/RepeatBoxAction.cpp (modified)
	* src/Actions/WorldAction/ScaleBoxAction.cpp (modified)
	* src/Actions/WorldAction/SetDefaultNameAction.cpp (modified)
	* src/Actions/WorldAction/SetGaussianBasisAction.cpp (modified)
	* src/CommandLineParser.cpp (modified)
	* src/CommandLineParser.hpp (modified)
	* src/Descriptors/MoleculeNameDescriptor.cpp (added)
	* src/Descriptors/MoleculeNameDescriptor.hpp (added)
	* src/Descriptors/MoleculeNameDescriptor_impl.hpp (added)
	* src/Helpers/MemDebug.hpp (modified)
	* src/Legacy/oldmenu.cpp (modified)
	* src/Makefile.am (modified)
	* src/UIElements/CommandLineUI/CommandLineDialog.cpp (modified)
	* src/UIElements/CommandLineUI/CommandLineDialog.hpp (modified)
	* src/UIElements/CommandLineUI/CommandLineWindow.cpp (modified)
	* src/UIElements/Dialog.cpp (modified)
	* src/UIElements/Dialog.hpp (modified)
	* src/UIElements/TextUI/TextDialog.cpp (modified)
	* src/UIElements/TextUI/TextDialog.hpp (modified)
	* src/World.cpp (modified)
	* src/World.hpp (modified)
	* src/analysis_correlation.cpp (modified)
	* src/analysis_correlation.hpp (modified)
	* src/builder.cpp (modified)
	* src/molecule.cpp (modified)
	* src/moleculelist.cpp (modified)
	* src/periodentafel.cpp (modified)
	* src/periodentafel.hpp (modified)
	* src/unittests/AnalysisCorrelationToPointUnitTest.cpp (modified)
	* src/unittests/AnalysisCorrelationToPointUnitTest.hpp (modified)
	* src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified)
	* src/unittests/AnalysisCorrelationToSurfaceUnitTest.hpp (modified)
	* src/unittests/AnalysisPairCorrelationUnitTest.cpp (modified)
	* src/unittests/AnalysisPairCorrelationUnitTest.hpp (modified)
	* tests/Tesselations/defs.in (modified)
	* tests/regression/Analysis/3/post/bin_output.csv (modified)
	* tests/regression/Fragmentation/3/pre/BondFragment0.conf (deleted)
	* tests/regression/Fragmentation/3/pre/BondFragment0.conf.xyz (deleted)
	* tests/regression/Fragmentation/3/pre/BondFragment1.conf (deleted)
	* tests/regression/Fragmentation/3/pre/BondFragment1.conf.xyz (deleted)
	* tests/regression/Fragmentation/3/pre/BondFragment2.conf (deleted)
	* tests/regression/Fragmentation/3/pre/BondFragment2.conf.xyz (deleted)
	* tests/regression/Fragmentation/3/pre/BondFragment3.conf (deleted)
	* tests/regression/Fragmentation/3/pre/BondFragment3.conf.xyz (deleted)
	* tests/regression/Fragmentation/3/pre/BondFragment4.conf (deleted)
	* tests/regression/Fragmentation/3/pre/BondFragment4.conf.xyz (deleted)
	* tests/regression/Fragmentation/3/pre/BondFragmentAdjacency.dat (deleted)
	* tests/regression/Fragmentation/3/pre/BondFragmentForces-Factors.dat (deleted)
	* tests/regression/Fragmentation/3/pre/BondFragmentKeySets.dat (deleted)
	* tests/regression/Fragmentation/3/pre/BondFragmentOrderAtSite.dat (deleted)
	* tests/regression/Fragmentation/3/pre/BondFragmentTE-Factors.dat (deleted)
	* tests/regression/testsuite-analysis.at (modified)
	* tests/regression/testsuite-filling.at (modified)
	* tests/regression/testsuite-fragmentation.at (modified)
	* tests/regression/testsuite-molecules.at (modified)
	* tests/regression/testsuite-simple_configuration.at (modified)
	* tests/regression/testsuite-standard_options.at (modified)
	* tests/regression/testsuite-tesselation.at (modified)

	Broken: Merge commit 'Gitosis/stable' into stable

	Conflicts:
 ...


Sat, 12 Jun 2010 22:19:48 GMT Frederik Heber <heber@…> [1b2d30]
	* src/ConfigFileBuffer.cpp (modified)
	* src/Parser/MpqcParser.cpp (modified)
	* src/Parser/MpqcParser.hpp (modified)
	* src/Parser/PcpParser.cpp (modified)
	* src/Parser/PcpParser.hpp (modified)
	* src/atom.cpp (modified)
	* src/atom.hpp (modified)
	* src/config.cpp (modified)
	* src/unittests/ParserUnitTest.cpp (modified)
	* src/unittests/ParserUnitTest.hpp (modified)

	Extended PcpParser, completed MpqcParser.

	- BUGFIX: ...


Sat, 12 Jun 2010 15:54:26 GMT Frederik Heber <heber@…> [43dad6]
	* src/ConfigFileBuffer.cpp (modified)
	* src/ConfigFileBuffer.hpp (modified)
	* src/Makefile.am (modified)
	* src/Parser/MpqcParser.cpp (added)
	* src/Parser/MpqcParser.hpp (added)
	* src/Parser/PcpParser.cpp (added)
	* src/Parser/PcpParser.hpp (added)
	* src/ThermoStatContainer.cpp (modified)
	* src/World.cpp (modified)
	* src/World.hpp (modified)
	* src/atom.cpp (modified)
	* src/atom.hpp (modified)
	* src/config.cpp (modified)
	* src/config.hpp (modified)
	* src/molecule.cpp (modified)

	Introducing (but not yet incorporated) FormatParser specializations ...


Sat, 12 Jun 2010 13:12:51 GMT Frederik Heber <heber@…> [a3fded]
	* src/Actions/CmdAction/BondLengthTableAction.cpp (modified)
	* src/Actions/FragmentationAction/DepthFirstSearchAction.cpp (modified)
	* src/Actions/FragmentationAction/FragmentationAction.cpp (modified)
	* src/ConfigFileBuffer.cpp (modified)
	* src/ConfigFileBuffer.hpp (modified)
	* src/Makefile.am (modified)
	* src/ThermoStatContainer.cpp (added)
	* src/ThermoStatContainer.hpp (added)
	* src/atom_trajectoryparticle.cpp (modified)
	* src/config.cpp (modified)
	* src/config.hpp (modified)
	* src/molecule.hpp (modified)
	* src/molecule_dynamics.cpp (modified)
	* src/moleculelist.cpp (modified)

	New class ThermoStatContainer containing all parameters and changes ...


Sat, 12 Jun 2010 11:12:20 GMT Frederik Heber <heber@…> [88104f]
	* src/ConfigFileBuffer.cpp (added)
	* src/ConfigFileBuffer.hpp (added)
	* src/Makefile.am (modified)
	* src/config.cpp (modified)
	* src/config.hpp (modified)

	Placed class ConfigFileBuffer into its own module.

	- this is a ...


Sat, 12 Jun 2010 10:34:14 GMT Frederik Heber <heber@…> [980dd6]
	* src/Actions/MapOfActions.cpp (modified)
	* src/Actions/TesselationAction/NonConvexEnvelopeAction.cpp (modified)
	* src/builder.cpp (modified)
	* tests/Tesselations/defs.in (modified)
	* tests/regression/testsuite-tesselation.at (modified)

	Case 'N' is now handled by CommandLineUI.

	- TESTFIX: Tesselation/1 ...


Fri, 11 Jun 2010 19:22:37 GMT Frederik Heber <heber@…> [f6bd32]
	* src/Actions/MapOfActions.cpp (modified)
	* src/Actions/TesselationAction/ConvexEnvelopeAction.cpp (modified)
	* src/builder.cpp (modified)
	* tests/regression/testsuite-tesselation.at (modified)

	Case 'o' is now handled by CommandLineUI.

	- As of now, multiple ...


Fri, 11 Jun 2010 16:01:49 GMT Tillmann Crueger <crueger@…> [f8e486]
	* src/Patterns/Cacheable.hpp (modified)
	* src/molecule.cpp (modified)
	* src/unittests/CacheableTest.cpp (modified)
	* src/unittests/listofbondsunittest.cpp (modified)

	Repaired compilation with -DNO_CACHING option


Fri, 11 Jun 2010 15:59:53 GMT Frederik Heber <heber@…> [6866aa]
	* src/Actions/FragmentationAction/SubgraphDissectionAction.cpp (modified)
	* src/Actions/MapOfActions.cpp (modified)
	* src/builder.cpp (modified)

	Case 'I' is now handled by CommandLineUI.


Fri, 11 Jun 2010 15:53:52 GMT Tillmann Crueger <crueger@…> [a80241]
	* src/atom.cpp (modified)
	* src/unittests/listofbondsunittest.cpp (modified)

	Made the atoms remove all their bonds upon destruction


Fri, 11 Jun 2010 15:52:44 GMT Frederik Heber <heber@…> [a307af]
	* src/Actions/MapOfActions.cpp (modified)
	* src/builder.cpp (modified)
	* tests/regression/testsuite-molecules.at (modified)

	Case 'S' is now handled by CommandLineUI.


Fri, 11 Jun 2010 15:48:32 GMT Frederik Heber <heber@…> [a02462]
	* src/Actions/MapOfActions.cpp (modified)
	* src/Actions/MoleculeAction/LinearInterpolationofTrajectoriesAction.cpp (modified)
	* src/builder.cpp (modified)
	* tests/regression/testsuite-molecules.at (modified)

	Case 'L' is now handled by CommandLineUI.


Fri, 11 Jun 2010 15:41:41 GMT Tillmann Crueger <crueger@…> [6cfa36]
	* src/atom.cpp (modified)
	* src/atom.hpp (modified)
	* src/molecule.cpp (modified)
	* src/molecule.hpp (modified)
	* src/unittests/listofbondsunittest.cpp (modified)

	Made atoms remove themselves from molecules upon destruction


Fri, 11 Jun 2010 15:27:20 GMT Frederik Heber <heber@…> [aacce8]
	* src/Actions/MapOfActions.cpp (modified)
	* src/builder.cpp (modified)
	* tests/regression/testsuite-molecules.at (modified)

	Case 'P' is now handled by CommandLineUI.

	- TESTFIX: ...


Fri, 11 Jun 2010 15:21:51 GMT Frederik Heber <heber@…> [77b2d7]
	* src/Actions/MapOfActions.cpp (modified)
	* src/Actions/MoleculeAction/TranslateAction.cpp (modified)
	* src/UIElements/CommandLineUI/CommandLineWindow.cpp (modified)
	* src/builder.cpp (modified)
	* tests/regression/testsuite-molecules.at (modified)

	Cases 't' and 'T' are now handled by CommandLineUI.

	- TESTFIX: both ...


Fri, 11 Jun 2010 15:07:11 GMT Frederik Heber <heber@…> [e2b47c]
	* src/Actions/MapOfActions.cpp (modified)
	* src/Actions/WorldAction/RemoveSphereOfAtomsAction.cpp (modified)
	* src/builder.cpp (modified)
	* tests/regression/testsuite-simple_configuration.at (modified)

	Case 'R' is now handled by CommandLineUI.

	- again, for each atom to ...


Fri, 11 Jun 2010 14:49:15 GMT Frederik Heber <heber@…> [9d2a92]
	* src/builder.cpp (modified)

	ParseCommandLineOptions() - re-added removed argument count checking ...


Fri, 11 Jun 2010 14:38:34 GMT Frederik Heber <heber@…> [f4bd01]
	* src/Actions/MapOfActions.cpp (modified)
	* src/builder.cpp (modified)
	* tests/regression/testsuite-molecules.at (modified)

	Case 'A' is now handled by CommandLineUI.

	- TESTFIX: ...


Fri, 11 Jun 2010 14:37:51 GMT Frederik Heber <heber@…> [d55743e]
	* src/Actions/AtomAction/RemoveAction.cpp (modified)
	* src/Actions/MapOfActions.cpp (modified)
	* src/builder.cpp (modified)

	Case 'r' is now handled by CommandLineUI.


Fri, 11 Jun 2010 14:20:11 GMT Frederik Heber <heber@…> [77de81]
	* src/Actions/MapOfActions.cpp (modified)
	* src/builder.cpp (modified)
	* tests/regression/testsuite-molecules.at (modified)

	Cases 'J' and 'j' are now handled by CommandLineUI.

	- TESTFIX: ...


Fri, 11 Jun 2010 12:20:08 GMT Frederik Heber <heber@…> [54b953]
	* src/Actions/AtomAction/ChangeElementAction.cpp (modified)
	* src/Actions/MapOfActions.cpp (modified)
	* src/builder.cpp (modified)
	* tests/regression/testsuite-simple_configuration.at (modified)

	Case 'E' is now handled by CommandLineUI.

	- TESTFIX: --element is ...


Fri, 11 Jun 2010 12:19:50 GMT Frederik Heber <heber@…> [f0a3ec]
	* src/Actions/AtomAction/AddAction.cpp (modified)
	* src/Actions/MapOfActions.cpp (modified)
	* src/builder.cpp (modified)
	* tests/regression/testsuite-simple_configuration.at (modified)

	Case 'a' is now handled by CommandLineUI.

	- NOTE: atom has still to ...


Fri, 11 Jun 2010 12:19:42 GMT Frederik Heber <heber@…> [6c7352]
	* src/builder.cpp (modified)

	Removed commented-out LoadPeriodentafel() and (second) ...


Fri, 11 Jun 2010 12:19:27 GMT Frederik Heber <heber@…> [387b36]
	* src/Actions/MapOfActions.cpp (modified)
	* src/Actions/WorldAction/SetDefaultNameAction.cpp (modified)
	* src/World.cpp (modified)
	* src/World.hpp (modified)
	* src/builder.cpp (modified)
	* src/molecule.cpp (modified)

	Case 'X' is now handled by CommandLineUI, World::get/setDefaultName() ...


Fri, 11 Jun 2010 12:19:18 GMT Frederik Heber <heber@…> [f821d6]
	* src/Actions/MapOfActions.cpp (modified)
	* src/builder.cpp (modified)
	* tests/regression/testsuite-standard_options.at (modified)

	Case 'n' is now handled by CommandLineUI.

	- TESTFIX: fastparsing ...


Fri, 11 Jun 2010 10:45:06 GMT Frederik Heber <heber@…> [bdaacd]
	* src/Actions/MapOfActions.cpp (modified)
	* src/Actions/WorldAction/SetGaussianBasisAction.cpp (modified)
	* src/builder.cpp (modified)

	Case 'M' is now handled by CommandLineUI.


Thu, 10 Jun 2010 16:24:24 GMT Frederik Heber <heber@…> [39af9f]
	* src/Actions/CmdAction/BondLengthTableAction.cpp (modified)
	* src/Actions/MapOfActions.cpp (modified)
	* src/builder.cpp (modified)

	Case 'g' is now handled by CommandLineUI.


Thu, 10 Jun 2010 16:20:36 GMT Frederik Heber <heber@…> [198494]
	* src/Actions/CmdAction/ElementDbAction.cpp (modified)
	* src/Actions/MapOfActions.cpp (modified)
	* src/builder.cpp (modified)

	Case 'e' is now handled by CommandLineUI.

	- BUGFIX: ElementDbAction ...


Thu, 10 Jun 2010 16:17:22 GMT Frederik Heber <heber@…> [61745cc]
	* src/periodentafel.cpp (modified)
	* src/periodentafel.hpp (modified)

	BUGFIX: LoadPeriodentafel() did not close files and elements have to ...


Thu, 10 Jun 2010 16:13:23 GMT Frederik Heber <heber@…> [7e6b00]
	* src/Actions/MapOfActions.cpp (modified)
	* src/Actions/MapOfActions.hpp (modified)
	* src/CommandLineParser.cpp (modified)
	* src/CommandLineParser.hpp (modified)
	* src/UIElements/CommandLineUI/CommandLineWindow.cpp (modified)
	* src/builder.cpp (modified)

	FIX: Sequence of actions called from command line is now corrected.
 ...


Thu, 10 Jun 2010 16:05:53 GMT Frederik Heber <heber@…> [623e89]
	* src/Actions/AnalysisAction/MolecularVolumeAction.cpp (modified)
	* src/Actions/AnalysisAction/PairCorrelationAction.cpp (modified)
	* src/Actions/AnalysisAction/PrincipalAxisSystemAction.cpp (modified)
	* src/Actions/AtomAction/AddAction.cpp (modified)
	* src/Actions/AtomAction/ChangeElementAction.cpp (modified)
	* src/Actions/AtomAction/RemoveAction.cpp (modified)
	* src/Actions/CmdAction/BondLengthTableAction.cpp (modified)
	* src/Actions/CmdAction/ElementDbAction.cpp (modified)
	* src/Actions/CmdAction/FastParsingAction.cpp (modified)
	* src/Actions/CmdAction/VerboseAction.cpp (modified)
	* src/Actions/CmdAction/VersionAction.cpp (modified)
	* src/Actions/FragmentationAction/DepthFirstSearchAction.cpp (modified)
	* src/Actions/FragmentationAction/FragmentationAction.cpp (modified)
	* src/Actions/FragmentationAction/SubgraphDissectionAction.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/RemoveSphereOfAtomsAction.cpp (modified)
	* src/Actions/WorldAction/RepeatBoxAction.cpp (modified)
	* src/Actions/WorldAction/ScaleBoxAction.cpp (modified)
	* src/Actions/WorldAction/SetDefaultNameAction.cpp (modified)
	* src/Actions/WorldAction/SetGaussianBasisAction.cpp (modified)

	Compilation took ages because of CommandLineParser.hpp being ...


Thu, 10 Jun 2010 15:10:19 GMT Tillmann Crueger <crueger@…> [6d6b54]
	* src/Actions/Action.cpp (modified)
	* src/Helpers/MemDebug.cpp (modified)
	* src/Helpers/MemDebug.hpp (modified)

	Made the memory-tracker output the function from which it was called.


Thu, 10 Jun 2010 13:11:28 GMT Tillmann Crueger <crueger@…> [112b09]
	* src/Actions/Action.cpp (modified)
	* src/Actions/ActionHistory.cpp (modified)
	* src/Actions/ActionRegistry.cpp (modified)
	* src/Actions/ActionSequence.cpp (modified)
	* src/Actions/AnalysisAction/MolecularVolumeAction.cpp (modified)
	* src/Actions/AnalysisAction/PairCorrelationAction.cpp (modified)
	* src/Actions/AnalysisAction/PairCorrelationToPointAction.cpp (modified)
	* src/Actions/AnalysisAction/PairCorrelationToSurfaceAction.cpp (modified)
	* src/Actions/AnalysisAction/PrincipalAxisSystemAction.cpp (modified)
	* src/Actions/AtomAction/AddAction.cpp (modified)
	* src/Actions/AtomAction/ChangeElementAction.cpp (modified)
	* src/Actions/AtomAction/RemoveAction.cpp (modified)
	* src/Actions/CmdAction/BondLengthTableAction.cpp (modified)
	* src/Actions/CmdAction/ElementDbAction.cpp (modified)
	* src/Actions/CmdAction/FastParsingAction.cpp (modified)
	* src/Actions/CmdAction/HelpAction.cpp (modified)
	* src/Actions/CmdAction/VerboseAction.cpp (modified)
	* src/Actions/CmdAction/VersionAction.cpp (modified)
	* src/Actions/ErrorAction.cpp (modified)
	* src/Actions/FragmentationAction/DepthFirstSearchAction.cpp (modified)
	* src/Actions/FragmentationAction/FragmentationAction.cpp (modified)
	* src/Actions/FragmentationAction/SubgraphDissectionAction.cpp (modified)
	* src/Actions/MakroAction.cpp (modified)
	* src/Actions/ManipulateAtomsProcess.cpp (modified)
	* src/Actions/MapOfActions.cpp (modified)
	* src/Actions/MethodAction.cpp (modified)
	* src/Actions/MoleculeAction/BondFileAction.cpp (modified)
	* src/Actions/MoleculeAction/ChangeNameAction.cpp (modified)
	* src/Actions/MoleculeAction/FillWithMoleculeAction.cpp (modified)
	* src/Actions/MoleculeAction/LinearInterpolationofTrajectoriesAction.cpp (modified)
	* src/Actions/MoleculeAction/RotateToPrincipalAxisSystemAction.cpp (modified)
	* src/Actions/MoleculeAction/SaveAdjacencyAction.cpp (modified)
	* src/Actions/MoleculeAction/SaveBondsAction.cpp (modified)
	* src/Actions/MoleculeAction/SaveTemperatureAction.cpp (modified)
	* src/Actions/MoleculeAction/SuspendInWaterAction.cpp (modified)
	* src/Actions/MoleculeAction/TranslateAction.cpp (modified)
	* src/Actions/MoleculeAction/VerletIntegrationAction.cpp (modified)
	* src/Actions/ParserAction/LoadXyzAction.cpp (modified)
	* src/Actions/ParserAction/SaveXyzAction.cpp (modified)
	* src/Actions/Process.cpp (modified)
	* src/Actions/TesselationAction/ConvexEnvelopeAction.cpp (modified)
	* src/Actions/TesselationAction/NonConvexEnvelopeAction.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/RemoveSphereOfAtomsAction.cpp (modified)
	* src/Actions/WorldAction/RepeatBoxAction.cpp (modified)
	* src/Actions/WorldAction/ScaleBoxAction.cpp (modified)
	* src/Actions/WorldAction/SetDefaultNameAction.cpp (modified)
	* src/Actions/WorldAction/SetGaussianBasisAction.cpp (modified)
	* src/CommandLineParser.cpp (modified)
	* src/Descriptors/AtomDescriptor.cpp (modified)
	* src/Descriptors/AtomIdDescriptor.cpp (modified)
	* src/Descriptors/AtomTypeDescriptor.cpp (modified)
	* src/Descriptors/MoleculeDescriptor.cpp (modified)
	* src/Descriptors/MoleculeIdDescriptor.cpp (modified)
	* src/Descriptors/MoleculePtrDescriptor.cpp (modified)
	* src/Exceptions/CustomException.cpp (modified)
	* src/Exceptions/LinearDependenceException.cpp (modified)
	* src/Exceptions/MathException.cpp (modified)
	* src/Exceptions/SkewException.cpp (modified)
	* src/Exceptions/ZeroVectorException.cpp (modified)
	* src/Helpers/Assert.cpp (modified)
	* src/Helpers/MemDebug.hpp (modified)
	* src/Legacy/oldmenu.cpp (modified)
	* src/Line.cpp (modified)
	* src/Parser/ChangeTracker.cpp (modified)
	* src/Parser/FormatParser.cpp (modified)
	* src/Parser/TremoloParser.cpp (modified)
	* src/Parser/XyzParser.cpp (modified)
	* src/Patterns/Observer.cpp (modified)
	* src/Plane.cpp (modified)
	* src/Space.cpp (modified)
	* src/UIElements/CommandLineUI/CommandLineDialog.cpp (modified)
	* src/UIElements/CommandLineUI/CommandLineStatusIndicator.cpp (modified)
	* src/UIElements/CommandLineUI/CommandLineUIFactory.cpp (modified)
	* src/UIElements/CommandLineUI/CommandLineWindow.cpp (modified)
	* src/UIElements/Dialog.cpp (modified)
	* src/UIElements/MainWindow.cpp (modified)
	* src/UIElements/Menu/ActionMenuItem.cpp (modified)
	* src/UIElements/Menu/DisplayMenuItem.cpp (modified)
	* src/UIElements/Menu/Menu.cpp (modified)
	* src/UIElements/Menu/MenuItem.cpp (modified)
	* src/UIElements/Menu/SeperatorItem.cpp (modified)
	* src/UIElements/Menu/SubMenuItem.cpp (modified)
	* src/UIElements/Menu/TextMenu.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/StreamStringView.cpp (modified)
	* src/UIElements/Views/StringView.cpp (modified)
	* src/UIElements/Views/View.cpp (modified)
	* src/World.cpp (modified)
	* src/analysis_bonds.cpp (modified)
	* src/analysis_correlation.cpp (modified)
	* src/analyzer.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_particleinfo.cpp (modified)
	* src/atom_trajectoryparticle.cpp (modified)
	* src/atom_trajectoryparticleinfo.cpp (modified)
	* src/bond.cpp (modified)
	* src/bondgraph.cpp (modified)
	* src/boundary.cpp (modified)
	* src/builder.cpp (modified)
	* src/config.cpp (modified)
	* src/datacreator.cpp (modified)
	* src/element.cpp (modified)
	* src/elements_db.cpp (modified)
	* src/ellipsoid.cpp (modified)
	* src/errorlogger.cpp (modified)
	* src/graph.cpp (modified)
	* src/gslmatrix.cpp (modified)
	* src/gslvector.cpp (modified)
	* src/helpers.cpp (modified)
	* src/info.cpp (modified)
	* src/joiner.cpp (modified)
	* src/leastsquaremin.cpp (modified)
	* src/linearsystemofequations.cpp (modified)
	* src/linkedcell.cpp (modified)
	* src/log.cpp (modified)
	* src/logger.cpp (modified)
	* src/memoryallocator.cpp (modified)
	* src/memoryusageobserver.cpp (modified)
	* src/molecule.cpp (modified)
	* src/molecule_dynamics.cpp (modified)
	* src/molecule_fragmentation.cpp (modified)
	* src/molecule_geometry.cpp (modified)
	* src/molecule_graph.cpp (modified)
	* src/molecule_pointcloud.cpp (modified)
	* src/moleculelist.cpp (modified)
	* src/parser.cpp (modified)
	* src/periodentafel.cpp (modified)
	* src/tesselation.cpp (modified)
	* src/tesselationhelpers.cpp (modified)
	* src/triangleintersectionlist.cpp (modified)
	* src/vector.cpp (modified)
	* src/vector_ops.cpp (modified)
	* src/verbose.cpp (modified)

	Added #include "Helpers/MemDebug.hpp" to all .cpp files


Wed, 09 Jun 2010 15:10:51 GMT Frederik Heber <heber@…> [2b5574]
	* src/Actions/MapOfActions.cpp (modified)
	* src/builder.cpp (modified)
	* tests/regression/testsuite-analysis.at (modified)

	Case 'm' is now handled by CommandLineUI.

	- TESTCHANGE: Analysis/5 ...


Wed, 09 Jun 2010 15:09:55 GMT Frederik Heber <heber@…> [31b09e]
	* src/Descriptors/MoleculeNameDescriptor.cpp (added)
	* src/Descriptors/MoleculeNameDescriptor.hpp (added)
	* src/Descriptors/MoleculeNameDescriptor_impl.hpp (added)
	* src/Makefile.am (modified)

	Added new MoleculeDescriptor by name.

	- molecule Ids are rather ...


Wed, 09 Jun 2010 15:08:46 GMT Frederik Heber <heber@…> [58bbd3]
	* src/Actions/MapOfActions.cpp (modified)
	* src/analysis_correlation.cpp (modified)
	* src/builder.cpp (modified)
	* src/moleculelist.cpp (modified)
	* tests/regression/Analysis/3/post/bin_output.csv (modified)
	* tests/regression/testsuite-analysis.at (modified)

	Cases 'C' are now handled by CommandLineUI.

	- TESTFIX: ...


Wed, 09 Jun 2010 14:30:10 GMT Tillmann Crueger <crueger@…> [cd5047]
	* src/Actions/Process.cpp (modified)
	* src/Parser/ChangeTracker.cpp (modified)
	* src/Parser/FormatParser.cpp (modified)
	* src/Patterns/Cacheable.hpp (modified)
	* src/Patterns/Observer.cpp (modified)
	* src/Patterns/Observer.hpp (modified)
	* src/UIElements/CommandLineUI/CommandLineStatusIndicator.cpp (modified)
	* src/UIElements/TextUI/TextStatusIndicator.cpp (modified)
	* src/World.cpp (modified)
	* src/builder.cpp (modified)
	* src/molecule.cpp (modified)
	* src/moleculelist.cpp (modified)
	* src/unittests/CacheableTest.cpp (modified)
	* src/unittests/ObserverTest.cpp (modified)
	* src/unittests/manipulateAtomsTest.cpp (modified)

	Added Logging capabilities to Observer Framework


Wed, 09 Jun 2010 14:09:46 GMT Frederik Heber <heber@…> [1e6913]
	* src/Actions/ActionRegistry.cpp (modified)
	* src/Actions/ActionRegistry.hpp (modified)
	* src/UIElements/CommandLineUI/CommandLineWindow.cpp (modified)
	* tests/regression/testsuite-fragmentation.at (modified)

	Order of actions called did not conincide with order on command line. ...


Wed, 09 Jun 2010 14:06:23 GMT Frederik Heber <heber@…> [94d131]
	* src/UIElements/CommandLineUI/CommandLineDialog.cpp (modified)
	* src/UIElements/Dialog.cpp (modified)
	* src/UIElements/Dialog.hpp (modified)

	Helpful messages added to find failing queries in CommandLineUI.

	- ...


Wed, 09 Jun 2010 14:04:54 GMT Frederik Heber <heber@…> [104524]
	* src/Actions/AnalysisAction/PairCorrelationAction.cpp (modified)
	* src/Actions/AnalysisAction/PairCorrelationToPointAction.cpp (deleted)
	* src/Actions/AnalysisAction/PairCorrelationToPointAction.hpp (deleted)
	* src/Actions/AnalysisAction/PairCorrelationToSurfaceAction.cpp (deleted)
	* src/Actions/AnalysisAction/PairCorrelationToSurfaceAction.hpp (deleted)
	* src/Actions/AtomAction/ChangeElementAction.cpp (modified)
	* src/Actions/Makefile.am (modified)
	* src/Legacy/oldmenu.cpp (modified)
	* src/UIElements/CommandLineUI/CommandLineDialog.cpp (modified)
	* src/UIElements/CommandLineUI/CommandLineDialog.hpp (modified)
	* src/UIElements/CommandLineUI/CommandLineWindow.cpp (modified)
	* src/UIElements/Dialog.cpp (modified)
	* src/UIElements/Dialog.hpp (modified)
	* src/UIElements/TextUI/TextDialog.cpp (modified)
	* src/UIElements/TextUI/TextDialog.hpp (modified)

	Changed PairCorrelationAction to incorporate all three cases and ...


Wed, 09 Jun 2010 11:12:08 GMT Frederik Heber <heber@…> [c78d44]
	* src/analysis_correlation.cpp (modified)
	* src/analysis_correlation.hpp (modified)
	* src/builder.cpp (modified)
	* src/unittests/AnalysisCorrelationToPointUnitTest.cpp (modified)
	* src/unittests/AnalysisCorrelationToPointUnitTest.hpp (modified)
	* src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified)
	* src/unittests/AnalysisCorrelationToSurfaceUnitTest.hpp (modified)
	* src/unittests/AnalysisPairCorrelationUnitTest.cpp (modified)
	* src/unittests/AnalysisPairCorrelationUnitTest.hpp (modified)

	Change to PairCorrelation...() functions, accept now vector<element ...


Tue, 08 Jun 2010 13:57:09 GMT Frederik Heber <heber@…> [8540f0]
	* src/Actions/MapOfActions.cpp (modified)
	* src/builder.cpp (modified)

	Case 'D' is now handled by CommandLineUI.


Tue, 08 Jun 2010 13:49:27 GMT Frederik Heber <heber@…> [e4b5de]
	* src/Actions/FragmentationAction/FragmentationAction.cpp (modified)
	* src/Actions/MapOfActions.cpp (modified)
	* src/UIElements/CommandLineUI/CommandLineWindow.cpp (modified)
	* src/World.cpp (modified)
	* src/World.hpp (modified)
	* src/builder.cpp (modified)
	* tests/regression/Fragmentation/3/pre/BondFragment0.conf (deleted)
	* tests/regression/Fragmentation/3/pre/BondFragment0.conf.xyz (deleted)
	* tests/regression/Fragmentation/3/pre/BondFragment1.conf (deleted)
	* tests/regression/Fragmentation/3/pre/BondFragment1.conf.xyz (deleted)
	* tests/regression/Fragmentation/3/pre/BondFragment2.conf (deleted)
	* tests/regression/Fragmentation/3/pre/BondFragment2.conf.xyz (deleted)
	* tests/regression/Fragmentation/3/pre/BondFragment3.conf (deleted)
	* tests/regression/Fragmentation/3/pre/BondFragment3.conf.xyz (deleted)
	* tests/regression/Fragmentation/3/pre/BondFragment4.conf (deleted)
	* tests/regression/Fragmentation/3/pre/BondFragment4.conf.xyz (deleted)
	* tests/regression/Fragmentation/3/pre/BondFragmentAdjacency.dat (deleted)
	* tests/regression/Fragmentation/3/pre/BondFragmentForces-Factors.dat (deleted)
	* tests/regression/Fragmentation/3/pre/BondFragmentKeySets.dat (deleted)
	* tests/regression/Fragmentation/3/pre/BondFragmentOrderAtSite.dat (deleted)
	* tests/regression/Fragmentation/3/pre/BondFragmentTE-Factors.dat (deleted)
	* tests/regression/testsuite-fragmentation.at (modified)

	Case 'f' is now handled by CommandLineUI.

	- ...


Tue, 08 Jun 2010 12:13:11 GMT Frederik Heber <heber@…> [48ab70a]
	* src/Actions/MapOfActions.cpp (modified)
	* src/builder.cpp (modified)

	Case 'u' is now handled by CommandLineUI.


Tue, 08 Jun 2010 11:18:45 GMT Frederik Heber <heber@…> [f2a1d3]
	* src/Makefile.am (modified)

	Merge branch 'FixRemovedElementsDBFromMakefile' into stable

	- ...


Tue, 08 Jun 2010 11:13:33 GMT Frederik Heber <heber@…> [4ed18b]
	* src/periodentafel.cpp (modified)

	Merge branch 'FixPeriodenTafelConstructorLoadDBs' into stable


Tue, 08 Jun 2010 11:12:24 GMT Frederik Heber <heber@…> [e58856b]
	* src/Makefile.am (modified)

	BUGFIX: elements.db has disappeared to early from .._DATA.

	- we ...


Tue, 08 Jun 2010 11:00:53 GMT Frederik Heber <heber@…> [b0e9c9]
	* src/periodentafel.cpp (modified)

	BUGFIX: Constructor of periodentafel had ASSERTs with function calls ...


Mon, 07 Jun 2010 23:55:30 GMT Frederik Heber <heber@…> [9907e7]
	* src/Actions/MoleculeAction/FillWithMoleculeAction.cpp (modified)
	* src/builder.cpp (modified)
	* tests/regression/testsuite-filling.at (modified)

	Case '-F' is now handled by CommandLineUI.

	- FIX: ...


Mon, 07 Jun 2010 23:53:44 GMT Frederik Heber <heber@…> [0286bc]
	* src/Actions/Makefile.am (modified)
	* src/Actions/MapOfActions.cpp (modified)
	* src/Actions/Values.hpp (added)
	* src/UIElements/CommandLineUI/CommandLineDialog.cpp (modified)

	BUGFIX: ListOfDoubles changed to Box and Vector.

	- ListOfDoubles is ...


Fri, 04 Jun 2010 12:19:41 GMT Tillmann Crueger <crueger@…> [2c8934]
	* src/Helpers/Assert.cpp (modified)

	Repaired broken NDEBUG mode of ASSERT


Fri, 04 Jun 2010 09:28:46 GMT Tillmann Crueger <crueger@…> [76c0d6]
	* src/Exceptions/MultipleSolutionsException.hpp (added)
	* src/Exceptions/SkewException.cpp (added)
	* src/Exceptions/SkewException.hpp (added)
	* src/Legacy/oldmenu.cpp (modified)
	* src/Line.cpp (modified)
	* src/Line.hpp (modified)
	* src/Makefile.am (modified)
	* src/Plane.cpp (modified)
	* src/Plane.hpp (modified)
	* src/Space.cpp (modified)
	* src/Space.hpp (modified)
	* src/atom.cpp (modified)
	* src/molecule_geometry.cpp (modified)
	* src/tesselation.cpp (modified)
	* src/tesselationhelpers.cpp (modified)
	* src/unittests/LineUnittest.cpp (added)
	* src/unittests/LineUnittest.hpp (added)
	* src/unittests/Makefile.am (modified)
	* src/unittests/PlaneUnittest.cpp (modified)
	* src/unittests/PlaneUnittest.hpp (modified)
	* src/unittests/vectorunittest.cpp (modified)
	* src/unittests/vectorunittest.hpp (modified)
	* src/vector.cpp (modified)
	* src/vector.hpp (modified)
	* src/vector_ops.cpp (modified)
	* src/vector_ops.hpp (modified)

	Merge branch 'StructureRefactoring' into stable

	Conflicts:

	       ...


Fri, 04 Jun 2010 09:01:15 GMT Tillmann Crueger <crueger@…> [e05826]
	* src/Makefile.am (modified)

	Small corrections on Makefile


Wed, 02 Jun 2010 16:17:17 GMT Frederik Heber <heber@…> [e30ce8]
	* src/Actions/MapOfActions.cpp (modified)
	* src/Actions/MapOfActions.hpp (modified)
	* src/Actions/WorldAction/RepeatBoxAction.cpp (modified)
	* src/Descriptors/MoleculePtrDescriptor.cpp (added)
	* src/Descriptors/MoleculePtrDescriptor.hpp (added)
	* src/Descriptors/MoleculePtrDescriptor_impl.hpp (added)
	* src/Makefile.am (modified)
	* src/UIElements/CommandLineUI/CommandLineDialog.cpp (modified)
	* src/builder.cpp (modified)

	Case 'd' is now handled by CommandLineUI (RepeatBoxAction).

	- ...