#
# ChangeLog for /
#
# Generated by Trac 1.6
# May 25, 2025, 2:14:52 PM

Thu, 22 Jul 2010 21:20:19 GMT Frederik Heber <heber@…> [aee3b1]
	* src/Actions/WorldAction/SetGaussianBasisAction.cpp (modified)
	* src/Actions/WorldAction/SetGaussianBasisAction.hpp (modified)

	converted SetGaussianBasisAction to new createDialog() and ...


Thu, 22 Jul 2010 21:16:38 GMT Frederik Heber <heber@…> [792597]
	* src/Actions/WorldAction/SetDefaultNameAction.cpp (modified)
	* src/Actions/WorldAction/SetDefaultNameAction.hpp (modified)

	converted SetDefaultNameAction to new createDialog() and implemented ...


Thu, 22 Jul 2010 21:12:42 GMT Frederik Heber <heber@…> [22e780]
	* src/Actions/WorldAction/ScaleBoxAction.cpp (modified)
	* src/Actions/WorldAction/ScaleBoxAction.hpp (modified)

	converted ScaleBoxAction to new createDialog().


Thu, 22 Jul 2010 21:11:25 GMT Frederik Heber <heber@…> [bfe2c2]
	* src/Actions/WorldAction/RepeatBoxAction.cpp (modified)
	* src/Actions/WorldAction/RepeatBoxAction.hpp (modified)

	converted RepeatBoxAction to new createDialog().


Thu, 22 Jul 2010 21:10:03 GMT Frederik Heber <heber@…> [9a9b2a]
	* src/Actions/WorldAction/RemoveSphereOfAtomsAction.cpp (modified)
	* src/Actions/WorldAction/RemoveSphereOfAtomsAction.hpp (modified)

	converted RemoveSphereOfAtomsAction to new createDialog().


Thu, 22 Jul 2010 21:08:38 GMT Frederik Heber <heber@…> [37c282]
	* src/Actions/WorldAction/OutputAction.cpp (modified)
	* src/Actions/WorldAction/OutputAction.hpp (modified)

	converted OutputAction to new createDialog().


Thu, 22 Jul 2010 21:07:35 GMT Frederik Heber <heber@…> [7882e9]
	* src/Actions/WorldAction/InputAction.cpp (modified)
	* src/Actions/WorldAction/InputAction.hpp (modified)

	converted InputAction to new createDialog().


Thu, 22 Jul 2010 21:06:09 GMT Frederik Heber <heber@…> [1ba67d]
	* src/Actions/WorldAction/CenterOnEdgeAction.cpp (modified)
	* src/Actions/WorldAction/CenterOnEdgeAction.hpp (modified)

	converted CenterOnEdgeAction to new createDialog().


Thu, 22 Jul 2010 21:04:59 GMT Frederik Heber <heber@…> [8da96a]
	* src/Actions/WorldAction/ChangeBoxAction.cpp (modified)
	* src/Actions/WorldAction/ChangeBoxAction.hpp (modified)

	converted ChangeBoxAction to new createDialog().


Thu, 22 Jul 2010 21:03:25 GMT Frederik Heber <heber@…> [4aece0]
	* src/Actions/WorldAction/CenterInBoxAction.cpp (modified)
	* src/Actions/WorldAction/CenterInBoxAction.hpp (modified)

	converted CenterInBoxAction to new createDialog().


Thu, 22 Jul 2010 21:00:40 GMT Frederik Heber <heber@…> [805636]
	* src/Actions/WorldAction/BoundInBoxAction.cpp (modified)
	* src/Actions/WorldAction/BoundInBoxAction.hpp (modified)

	converted BoundInBoxAction to new createDialog().


Thu, 22 Jul 2010 20:59:33 GMT Frederik Heber <heber@…> [afd9f3]
	* src/Actions/WorldAction/AddEmptyBoundaryAction.cpp (modified)
	* src/Actions/WorldAction/AddEmptyBoundaryAction.hpp (modified)

	converted AddEmptyBoundaryAction to new createDialog().


Thu, 22 Jul 2010 20:57:58 GMT Frederik Heber <heber@…> [ff4fd2a]
	* src/Actions/TesselationAction/NonConvexEnvelopeAction.cpp (modified)
	* src/Actions/TesselationAction/NonConvexEnvelopeAction.hpp (modified)

	converted NonConvexEnvelopeAction to new createDialog().


Thu, 22 Jul 2010 20:56:43 GMT Frederik Heber <heber@…> [8ae5d5]
	* src/Actions/TesselationAction/ConvexEnvelopeAction.cpp (modified)
	* src/Actions/TesselationAction/ConvexEnvelopeAction.hpp (modified)

	converted ConvexEnvelopeAction to new createDialog().


Thu, 22 Jul 2010 20:52:46 GMT Frederik Heber <heber@…> [ce8755]
	* src/Actions/ParserAction/SaveXyzAction.cpp (modified)
	* src/Actions/ParserAction/SaveXyzAction.hpp (modified)

	converted SaveXyzAction to new createDialog().


Thu, 22 Jul 2010 20:50:59 GMT Frederik Heber <heber@…> [0454de]
	* src/Actions/ParserAction/LoadXyzAction.cpp (modified)
	* src/Actions/ParserAction/LoadXyzAction.hpp (modified)

	converted LoadXyzAction to new createDialog().


Thu, 22 Jul 2010 20:48:46 GMT Frederik Heber <heber@…> [bcd16a]
	* src/Actions/MoleculeAction/VerletIntegrationAction.cpp (modified)
	* src/Actions/MoleculeAction/VerletIntegrationAction.hpp (modified)

	converted VerletIntegrationAction to new createDialog().


Thu, 22 Jul 2010 20:47:06 GMT Frederik Heber <heber@…> [a20fb9]
	* src/Actions/MoleculeAction/TranslateAction.cpp (modified)
	* src/Actions/MoleculeAction/TranslateAction.hpp (modified)

	converted TranslateAction to new createDialog().


Thu, 22 Jul 2010 20:45:04 GMT Frederik Heber <heber@…> [b9b26b]
	* src/Actions/MoleculeAction/SuspendInWaterAction.cpp (modified)
	* src/Actions/MoleculeAction/SuspendInWaterAction.hpp (modified)

	converted SuspendInWaterAction to new createDialog().


Thu, 22 Jul 2010 20:42:19 GMT Frederik Heber <heber@…> [09cf39]
	* src/Actions/MoleculeAction/SaveTemperatureAction.cpp (modified)
	* src/Actions/MoleculeAction/SaveTemperatureAction.hpp (modified)

	converted SaveTemperatureAction to new createDialog().


Thu, 22 Jul 2010 20:40:47 GMT Frederik Heber <heber@…> [fdf198]
	* src/Actions/MoleculeAction/SaveBondsAction.cpp (modified)
	* src/Actions/MoleculeAction/SaveBondsAction.hpp (modified)

	converted SaveBondsAction to new createDialog().


Thu, 22 Jul 2010 20:39:15 GMT Frederik Heber <heber@…> [e58fad1]
	* src/Actions/MoleculeAction/SaveAdjacencyAction.cpp (modified)
	* src/Actions/MoleculeAction/SaveAdjacencyAction.hpp (modified)

	converted SaveAdjacencyAction to new createDialog().


Thu, 22 Jul 2010 20:37:24 GMT Frederik Heber <heber@…> [845613]
	* src/Actions/MoleculeAction/RotateToPrincipalAxisSystemAction.cpp (modified)
	* src/Actions/MoleculeAction/RotateToPrincipalAxisSystemAction.hpp (modified)

	converted RotateToPrincipalAxisSystemAction to new createDialog().


Thu, 22 Jul 2010 20:37:17 GMT Frederik Heber <heber@…> [620fe5]
	* src/Actions/MoleculeAction/LinearInterpolationofTrajectoriesAction.cpp (modified)
	* src/Actions/MoleculeAction/LinearInterpolationofTrajectoriesAction.hpp (modified)

	converted LinearInterpolationofTrajectoriesAction to new
	createDialog().


Thu, 22 Jul 2010 20:31:41 GMT Frederik Heber <heber@…> [a001b7]
	* src/Actions/MoleculeAction/FillWithMoleculeAction.cpp (modified)
	* src/Actions/MoleculeAction/FillWithMoleculeAction.hpp (modified)

	converted FillWithMoleculeAction to new createDialog().


Thu, 22 Jul 2010 20:28:53 GMT Frederik Heber <heber@…> [5bc8520]
	* src/Actions/MoleculeAction/ChangeNameAction.cpp (modified)
	* src/Actions/MoleculeAction/ChangeNameAction.hpp (modified)

	converted ChangeNameAction to new createDialog().


Thu, 22 Jul 2010 20:28:45 GMT Frederik Heber <heber@…> [eacc3b]
	* src/Actions/MoleculeAction/BondFileAction.cpp (modified)
	* src/Actions/MoleculeAction/BondFileAction.hpp (modified)
	* src/World.cpp (modified)
	* src/World.hpp (modified)

	converted BondFileAction to new createDialog().

	- new functions ...


Thu, 22 Jul 2010 20:16:32 GMT Frederik Heber <heber@…> [1015fd]
	* src/Actions/FragmentationAction/SubgraphDissectionAction.cpp (modified)
	* src/Actions/FragmentationAction/SubgraphDissectionAction.hpp (modified)

	converted SubgraphDissectionAction to new createDialog().


Thu, 22 Jul 2010 20:15:02 GMT Frederik Heber <heber@…> [70d9b9]
	* src/Actions/FragmentationAction/FragmentationAction.cpp (modified)
	* src/Actions/FragmentationAction/FragmentationAction.hpp (modified)

	converted FragmentationAction to new createDialog() and implemented ...


Thu, 22 Jul 2010 20:11:36 GMT Frederik Heber <heber@…> [f394a6]
	* src/Actions/FragmentationAction/DepthFirstSearchAction.cpp (modified)
	* src/Actions/FragmentationAction/DepthFirstSearchAction.hpp (modified)

	converted DepthFirstSearchAction to createDialog() and implemented ...


Thu, 22 Jul 2010 20:09:33 GMT Frederik Heber <heber@…> [2dfeeb]
	* src/Actions/CmdAction/HelpAction.cpp (modified)
	* src/Actions/CmdAction/HelpAction.hpp (modified)

	converted HelpAction to new createDialog() and implemented trivial ...


Thu, 22 Jul 2010 20:07:51 GMT Frederik Heber <heber@…> [1d2d177]
	* src/Actions/CmdAction/VerboseAction.cpp (modified)
	* src/Actions/CmdAction/VerboseAction.hpp (modified)

	converted VerboseAction to new createDialog() and implemented
	Undo/Redo.


Thu, 22 Jul 2010 20:03:45 GMT Frederik Heber <heber@…> [ccf31f]
	* src/Actions/CmdAction/FastParsingAction.cpp (modified)
	* src/Actions/CmdAction/FastParsingAction.hpp (modified)

	converted FastParsingAction to new createDialog() and implemented ...


Thu, 22 Jul 2010 19:59:36 GMT Frederik Heber <heber@…> [a12e8e]
	* src/Actions/CmdAction/ElementDbAction.cpp (modified)
	* src/Actions/CmdAction/ElementDbAction.hpp (modified)

	converted ElementDbAction to new createDialog().


Thu, 22 Jul 2010 19:57:57 GMT Frederik Heber <heber@…> [bb2b2c]
	* src/Actions/CmdAction/BondLengthTableAction.cpp (modified)
	* src/Actions/CmdAction/BondLengthTableAction.hpp (modified)

	converted BondLengthTableAction to new createDialog().


Thu, 22 Jul 2010 19:56:02 GMT Frederik Heber <heber@…> [5cb3cb]
	* src/Actions/AnalysisAction/MolecularVolumeAction.cpp (modified)
	* src/Actions/AtomAction/RemoveAction.cpp (modified)
	* src/Actions/AtomAction/RemoveAction.hpp (modified)

	converted RemoveAction to new createDialog() and uses selectedAtoms.


Thu, 22 Jul 2010 19:55:55 GMT Frederik Heber <heber@…> [454065]
	* src/Actions/AtomAction/ChangeElementAction.cpp (modified)
	* src/Actions/AtomAction/ChangeElementAction.hpp (modified)

	Changed ChangeElementAction to new createDialog() and uses
	selectedAtoms.


Thu, 22 Jul 2010 19:45:26 GMT Frederik Heber <heber@…> [9d33ba]
	* 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/AddAction.hpp (modified)
	* src/UIElements/ValueStorage.cpp (modified)
	* src/UIElements/ValueStorage.hpp (modified)

	Added ValueStorage::getDescription(), i.e. now all occurences of ...


Thu, 22 Jul 2010 19:38:03 GMT Frederik Heber <heber@…> [ca1ba5]
	* src/Actions/AnalysisAction/PairCorrelationAction.cpp (modified)
	* src/Actions/AnalysisAction/PointCorrelationAction.cpp (modified)
	* src/Actions/AnalysisAction/PrincipalAxisSystemAction.cpp (modified)
	* src/Actions/AnalysisAction/PrincipalAxisSystemAction.hpp (modified)
	* src/Actions/AnalysisAction/SurfaceCorrelationAction.cpp (modified)

	Adapted dialog->query...() calls of all CorrelationAction()s to ...


Thu, 22 Jul 2010 19:37:46 GMT Frederik Heber <heber@…> [75dc28]
	* src/UIElements/CommandLineUI/CommandLineDialog.cpp (modified)
	* src/UIElements/CommandLineUI/CommandLineDialog.hpp (modified)
	* src/UIElements/Dialog.cpp (modified)
	* src/UIElements/Dialog.hpp (modified)
	* src/UIElements/Makefile.am (modified)
	* src/UIElements/TextUI/TextDialog.cpp (modified)
	* src/UIElements/TextUI/TextDialog.hpp (modified)
	* src/UIElements/ValueStorage.cpp (added)
	* src/UIElements/ValueStorage.hpp (added)

	Dialog->query...() don't need a _target anymore,

	- new class ...


Thu, 22 Jul 2010 19:11:35 GMT Frederik Heber <heber@…> [d02e07]
	* src/Actions/AnalysisAction/PairCorrelationAction.cpp (modified)
	* src/Actions/AnalysisAction/PairCorrelationAction.hpp (modified)
	* src/Actions/AnalysisAction/PointCorrelationAction.cpp (added)
	* src/Actions/AnalysisAction/PointCorrelationAction.hpp (added)
	* src/Actions/AnalysisAction/SurfaceCorrelationAction.cpp (added)
	* src/Actions/AnalysisAction/SurfaceCorrelationAction.hpp (added)
	* src/Actions/Makefile.am (modified)
	* src/Actions/MapOfActions.cpp (modified)
	* src/Actions/MapOfActions.hpp (modified)

	Split PairCorrelation into Pair, Point and SurfaceCorrelation.

	- ...


Thu, 22 Jul 2010 17:57:15 GMT Frederik Heber <heber@…> [0c9cc3]
	* src/Actions/AnalysisAction/MolecularVolumeAction.cpp (modified)
	* src/Actions/AnalysisAction/MolecularVolumeAction.hpp (modified)

	MolecularVolumeAction rewritten to new createDialog().


Thu, 22 Jul 2010 17:53:44 GMT Frederik Heber <heber@…> [ab9a27]
	* src/Actions/MapOfActions.cpp (modified)
	* src/Actions/MapOfActions.hpp (modified)
	* src/Exceptions/IllegalTypeException.cpp (added)
	* src/Exceptions/IllegalTypeException.hpp (added)
	* src/Makefile.am (modified)

	MapOfActions::TypeMap now contains type_info.

	We are going to use ...


Thu, 22 Jul 2010 17:53:21 GMT Frederik Heber <heber@…> [ba7418]
	* src/Actions/Action.hpp (modified)

	new virtual function Action::createDialog().


Thu, 22 Jul 2010 08:16:55 GMT Frederik Heber <heber@…> [c644a5]
	* configure.ac (modified)
	* test_all.sh (modified)

	test_all.sh now accepts "-j" to allow for parallel compiling, ...


Tue, 20 Jul 2010 13:01:11 GMT Frederik Heber <heber@…> [be97a8]
	* src/Actions/ActionRegistry.hpp (modified)
	* src/Actions/AnalysisAction/PairCorrelationAction.cpp (modified)
	* src/Actions/AtomAction/AddAction.cpp (modified)
	* src/Actions/AtomsCalculation_impl.hpp (modified)
	* src/Actions/ManipulateAtomsProcess.cpp (modified)
	* src/Actions/MapOfActions.cpp (modified)
	* src/Actions/MoleculeAction/BondFileAction.cpp (modified)
	* src/Actions/MoleculeAction/FillWithMoleculeAction.cpp (modified)
	* src/Actions/MoleculeAction/SuspendInWaterAction.cpp (modified)
	* src/Actions/MoleculeAction/TranslateAction.cpp (modified)
	* src/Actions/WorldAction/AddEmptyBoundaryAction.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/Box.cpp (added)
	* src/Box.hpp (added)
	* src/ConfigFileBuffer.cpp (modified)
	* src/ConfigFileBuffer.hpp (modified)
	* src/Descriptors/AtomDescriptor.cpp (modified)
	* src/Descriptors/AtomDescriptor_impl.hpp (modified)
	* src/Descriptors/AtomIdDescriptor.cpp (modified)
	* src/Descriptors/AtomSelectionDescriptor.cpp (added)
	* src/Descriptors/AtomSelectionDescriptor.hpp (added)
	* src/Descriptors/AtomSelectionDescriptor_impl.hpp (added)
	* src/Descriptors/MoleculeDescriptor.cpp (modified)
	* src/Descriptors/MoleculeDescriptor_impl.hpp (modified)
	* src/Descriptors/MoleculeIdDescriptor.cpp (modified)
	* src/Descriptors/MoleculeSelectionDescriptor.cpp (added)
	* src/Descriptors/MoleculeSelectionDescriptor.hpp (added)
	* src/Descriptors/MoleculeSelectionDescriptor_impl.hpp (added)
	* src/Exceptions/CustomException.cpp (modified)
	* src/Exceptions/CustomException.hpp (modified)
	* src/Exceptions/NotInvertibleException.cpp (added)
	* src/Exceptions/NotInvertibleException.hpp (added)
	* src/Helpers/Assert.hpp (modified)
	* src/Helpers/MemDebug.cpp (modified)
	* src/Helpers/MemDebug.hpp (modified)
	* src/Line.cpp (modified)
	* src/Line.hpp (modified)
	* src/Makefile.am (modified)
	* src/Matrix.cpp (added)
	* src/Matrix.hpp (added)
	* src/MatrixContent.hpp (added)
	* src/Parser/MpqcParser.hpp (modified)
	* src/Parser/PcpParser.cpp (modified)
	* src/Parser/PcpParser.hpp (modified)
	* src/Patterns/Cacheable.hpp (modified)
	* src/Patterns/ObservedContainer.hpp (added)
	* src/Patterns/ObservedContainer_impl.hpp (added)
	* src/Patterns/ObservedIterator.hpp (modified)
	* src/Patterns/Observer.hpp (modified)
	* src/Plane.hpp (modified)
	* src/Shapes/BaseShapes.cpp (added)
	* src/Shapes/BaseShapes.hpp (added)
	* src/Shapes/BaseShapes_impl.hpp (added)
	* src/Shapes/Shape.cpp (added)
	* src/Shapes/Shape.hpp (added)
	* src/Shapes/ShapeOps.cpp (added)
	* src/Shapes/ShapeOps.hpp (added)
	* src/Shapes/ShapeOps_impl.hpp (added)
	* src/Shapes/Shape_impl.hpp (added)
	* src/UIElements/CommandLineUI/CommandLineDialog.cpp (modified)
	* src/UIElements/CommandLineUI/CommandLineDialog.hpp (modified)
	* src/UIElements/Dialog.cpp (modified)
	* src/UIElements/Dialog.hpp (modified)
	* src/UIElements/QT4/QTDialog.cpp (modified)
	* src/UIElements/QT4/QTDialog.hpp (modified)
	* src/UIElements/QT4/QTMainWindow.cpp (modified)
	* src/UIElements/TextUI/TextDialog.cpp (modified)
	* src/UIElements/TextUI/TextDialog.hpp (modified)
	* src/UIElements/TextUI/TextWindow.hpp (modified)
	* src/UIElements/Views/StreamStringView.hpp (modified)
	* src/VectorContent.hpp (added)
	* src/VectorSet.cpp (deleted)
	* src/VectorSet.hpp (modified)
	* src/World.cpp (modified)
	* src/World.hpp (modified)
	* src/analysis_bonds.cpp (modified)
	* src/analysis_correlation.cpp (modified)
	* src/analysis_correlation.hpp (modified)
	* src/analyzer.cpp (modified)
	* src/atom.cpp (modified)
	* src/atom.hpp (modified)
	* src/atom_graphnodeinfo.cpp (modified)
	* src/atom_particleinfo.cpp (modified)
	* src/atom_particleinfo.hpp (modified)
	* src/atom_trajectoryparticle.hpp (modified)
	* src/bond.cpp (modified)
	* src/bondgraph.cpp (modified)
	* src/bondgraph.hpp (modified)
	* src/boundary.cpp (modified)
	* src/boundary.hpp (modified)
	* src/builder.cpp (modified)
	* src/config.cpp (modified)
	* src/datacreator.cpp (modified)
	* src/datacreator.hpp (modified)
	* src/defs.hpp (modified)
	* src/element.hpp (modified)
	* src/ellipsoid.cpp (modified)
	* src/errorlogger.cpp (modified)
	* src/errorlogger.hpp (modified)
	* src/graph.cpp (modified)
	* src/graph.hpp (modified)
	* src/gslvector.cpp (modified)
	* src/gslvector.hpp (modified)
	* src/helpers.cpp (modified)
	* src/helpers.hpp (modified)
	* src/joiner.cpp (modified)
	* src/linkedcell.cpp (modified)
	* src/logger.cpp (modified)
	* src/logger.hpp (modified)
	* src/memoryallocator.cpp (deleted)
	* src/memoryallocator.hpp (deleted)
	* src/memoryusageobserver.cpp (deleted)
	* src/memoryusageobserver.hpp (deleted)
	* 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/parser.cpp (modified)
	* src/periodentafel.hpp (modified)
	* src/stackclass.hpp (modified)
	* src/tesselation.cpp (modified)
	* src/tesselationhelpers.cpp (modified)
	* src/tesselationhelpers.hpp (modified)
	* src/triangleintersectionlist.cpp (modified)
	* src/unittests/ActOnAllUnitTest.cpp (modified)
	* src/unittests/LineUnittest.cpp (modified)
	* src/unittests/LineUnittest.hpp (modified)
	* src/unittests/Makefile.am (modified)
	* src/unittests/MatrixUnittest.cpp (added)
	* src/unittests/MatrixUnittest.hpp (added)
	* src/unittests/ObserverTest.cpp (modified)
	* src/unittests/ObserverTest.hpp (modified)
	* src/unittests/PlaneUnittest.cpp (modified)
	* src/unittests/ShapeUnittest.cpp (added)
	* src/unittests/ShapeUnittest.hpp (added)
	* src/unittests/linearsystemofequationsunittest.cpp (modified)
	* src/unittests/tesselation_insideoutsideunittest.cpp (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/verbose.cpp (modified)
	* src/verbose.hpp (modified)
	* test_all.sh (modified)
	* tests/Tesselations/defs.in (modified)
	* tests/Tesselations/heptan/1.5/NonConvexEnvelope-heptan.dat (modified)
	* tests/regression/Domain/4/post/test.conf (modified)
	* tests/regression/testsuite-analysis.at (modified)

	Merge branch 'StructureRefactoring' into stable

	Conflicts:
	        ...


Tue, 20 Jul 2010 10:20:49 GMT Frederik Heber <heber@…> [818eda]
	* src/Descriptors/MoleculeSelectionDescriptor.cpp (added)
	* src/Descriptors/MoleculeSelectionDescriptor.hpp (added)
	* src/Descriptors/MoleculeSelectionDescriptor_impl.hpp (added)

	Till forgot to add new MoleculeSelectionDescriptor files.


Fri, 16 Jul 2010 13:11:45 GMT Tillmann Crueger <crueger@…> [cf0ca1]
	* src/Makefile.am (modified)
	* src/World.hpp (modified)

	Added Descriptors that allow description of all Selected molecules


Fri, 16 Jul 2010 13:02:31 GMT Tillmann Crueger <crueger@…> [48dcbd]
	* src/Descriptors/AtomSelectionDescriptor.cpp (added)
	* src/Descriptors/AtomSelectionDescriptor.hpp (added)
	* src/Descriptors/AtomSelectionDescriptor_impl.hpp (added)
	* src/Makefile.am (modified)

	Added descriptors that allow description of all selected atoms


Fri, 16 Jul 2010 12:46:42 GMT Tillmann Crueger <crueger@…> [8cce2b]
	* src/Descriptors/AtomDescriptor.cpp (modified)
	* src/Descriptors/AtomDescriptor_impl.hpp (modified)
	* src/Descriptors/MoleculeDescriptor.cpp (modified)
	* src/Descriptors/MoleculeDescriptor_impl.hpp (modified)

	Made the MoleculeDescriptor and AtomDescriptor use faster STL- ...


Fri, 16 Jul 2010 11:07:08 GMT Tillmann Crueger <crueger@…> [a1e0b6]
	* src/Descriptors/MoleculeDescriptor.cpp (modified)

	Improved speed of MoleculeDescriptor by using reference to
	MoleculeSet


Fri, 16 Jul 2010 10:58:56 GMT Tillmann Crueger <crueger@…> [41aa39]
	* src/Descriptors/AtomIdDescriptor.cpp (modified)
	* src/Descriptors/MoleculeIdDescriptor.cpp (modified)
	* src/World.hpp (modified)

	Made MoleculeIdDescriptor and AtomIdDescriptor faster by avoiding ...


Fri, 16 Jul 2010 10:43:38 GMT Tillmann Crueger <crueger@…> [3839e5]
	* src/World.cpp (modified)
	* src/World.hpp (modified)

	Added iterators over selected atoms and molecules


Fri, 16 Jul 2010 10:34:12 GMT Tillmann Crueger <crueger@…> [61d655e]
	* src/World.cpp (modified)
	* src/World.hpp (modified)

	Added methods for unselecting molecules and atoms


Thu, 15 Jul 2010 15:30:55 GMT Tillmann Crueger <crueger@…> [90c4280]
	* src/World.cpp (modified)
	* src/World.hpp (modified)

	Added several methods for selecting specific atoms in the World


Thu, 15 Jul 2010 15:21:06 GMT Tillmann Crueger <crueger@…> [c084cc]
	* src/atom.cpp (modified)
	* src/atom.hpp (modified)

	Added a method to query the molecule an atom belongs to.


Thu, 15 Jul 2010 14:24:04 GMT Tillmann Crueger <crueger@…> [1a76a6]
	* src/World.hpp (modified)

	Removed public direct access to Atoms from world


Thu, 15 Jul 2010 14:14:42 GMT Tillmann Crueger <crueger@…> [3bf9e2]
	* src/Box.cpp (modified)

	Replaced check for Symmetric matrix in Box class with check for ...


Wed, 14 Jul 2010 12:00:29 GMT Tillmann Crueger <crueger@…> [5d880e]
	* src/World.cpp (modified)
	* src/World.hpp (modified)

	Allowed observed access to iterators on Molecules


Wed, 14 Jul 2010 11:53:16 GMT Tillmann Crueger <crueger@…> [e3d865]
	* src/Patterns/ObservedContainer.hpp (modified)
	* src/World.cpp (modified)
	* src/World.hpp (modified)

	Madet the internal iterators provided by the world unobserved


Wed, 14 Jul 2010 10:36:29 GMT Tillmann Crueger <crueger@…> [51be2a]
	* src/Descriptors/MoleculeDescriptor.cpp (modified)
	* src/Descriptors/MoleculeIdDescriptor.cpp (modified)
	* src/World.cpp (modified)
	* src/World.hpp (modified)

	Made iterator access to the molecules observed


Wed, 14 Jul 2010 10:27:19 GMT Tillmann Crueger <crueger@…> [8774c5]
	* src/Patterns/ObservedIterator.hpp (modified)
	* src/unittests/ObserverTest.cpp (modified)
	* src/unittests/ObserverTest.hpp (modified)

	Added operator-> for Observed Iterators


Sat, 10 Jul 2010 14:55:16 GMT Tillmann Crueger <crueger@…> [b99bf3]
	* src/Descriptors/AtomDescriptor.cpp (modified)
	* src/Descriptors/AtomIdDescriptor.cpp (modified)
	* src/Patterns/ObservedContainer.hpp (added)
	* src/Patterns/ObservedContainer_impl.hpp (added)
	* src/World.cpp (modified)
	* src/World.hpp (modified)

	Moved the observedContainer templates to the Pattern directory


Sat, 10 Jul 2010 14:46:51 GMT Tillmann Crueger <crueger@…> [4ef9b7]
	* src/World.hpp (modified)

	Made the observed sets for Atoms more abstract using template
	mechanisms


Sat, 10 Jul 2010 14:22:25 GMT Tillmann Crueger <crueger@…> [4d7462]
	* src/Descriptors/AtomDescriptor.cpp (modified)

	FIX: Repaired broken optimized builds


Thu, 08 Jul 2010 16:04:11 GMT Tillmann Crueger <crueger@…> [127a8e]
	* src/World.cpp (modified)
	* src/World.hpp (modified)
	* src/defs.hpp (modified)

	Improved managing of Ids in the World

	- Improved algorithm for ...


Thu, 08 Jul 2010 12:57:07 GMT Tillmann Crueger <crueger@…> [40f928]
	* src/Patterns/Observer.hpp (modified)

	Fixed a small misnaming of a variable


Thu, 08 Jul 2010 12:51:15 GMT Tillmann Crueger <crueger@…> [fa0b18]
	* src/Actions/AtomsCalculation_impl.hpp (modified)
	* src/Actions/ManipulateAtomsProcess.cpp (modified)
	* src/Descriptors/AtomIdDescriptor.cpp (modified)
	* src/World.cpp (modified)
	* src/World.hpp (modified)

	Added Observed and Selectiv iterators over internal Structures of the ...


Thu, 08 Jul 2010 11:36:38 GMT Tillmann Crueger <crueger@…> [61ea5b]
	* src/Patterns/Observer.hpp (modified)
	* src/unittests/ObserverTest.cpp (modified)
	* src/unittests/ObserverTest.hpp (modified)

	Added a macro that allows locking observer from outside of the
	observer


Thu, 08 Jul 2010 11:25:54 GMT Tillmann Crueger <crueger@…> [77a570]
	* src/VectorSet.cpp (deleted)

	Removed unused VectorSet.cpp


Wed, 07 Jul 2010 17:29:41 GMT Frederik Heber <heber@…> [ba9f5b]
	* COPYING (modified)
	* ChangeLog (modified)
	* README (modified)
	* test_all.sh (added)

	Merge branch 'TestSHBranch' of ../espack into stable

	Conflicts:
	   ...


Wed, 07 Jul 2010 17:20:12 GMT Frederik Heber <heber@…> [b21cb9]
	* test_all.sh (modified)

	Made the test directories more easily recognizeable


Wed, 07 Jul 2010 17:20:03 GMT Frederik Heber <heber@…> [164262]
	* test_all.sh (modified)

	FIX,IMPORTANT: Deletion of temporary directory was accidently ...


Wed, 07 Jul 2010 17:19:54 GMT Frederik Heber <heber@…> [720eb1]
	* test_all.sh (modified)

	Some more minor fixes for the script


Wed, 07 Jul 2010 17:19:45 GMT Frederik Heber <heber@…> [56f4af]
	* test_all.sh (modified)

	Fixed minor bugs in the test script


Wed, 07 Jul 2010 17:19:35 GMT Frederik Heber <heber@…> [d78b15]
	* test_all.sh (modified)

	Added several options to test script


Wed, 07 Jul 2010 17:19:21 GMT Frederik Heber <heber@…> [d6f4d5]
	* test_all.sh (modified)

	Made the test script do optimizations as well as compiling options


Wed, 07 Jul 2010 17:18:17 GMT Frederik Heber <heber@…> [a9b6d1]
	* test_all.sh (modified)

	Added memory check to exhaustive check script


Wed, 07 Jul 2010 17:18:07 GMT Frederik Heber <heber@…> [31aea2]
	* test_all.sh (added)

	Added script to do a full test of several compilation options at
	once.


Wed, 07 Jul 2010 16:08:32 GMT Tillmann Crueger <crueger@…> [4e10f5]
	* COPYING (added)
	* INSTALL (added)
	* README (modified)
	* config/config.guess (added)
	* config/config.sub (added)
	* config/depcomp (added)
	* config/install-sh (added)
	* config/missing (added)
	* configure.ac (modified)
	* m4/ax_lang_compiler_ms.m4 (added)
	* m4/cppunit.m4 (added)
	* src/Actions/AnalysisAction/MolecularVolumeAction.cpp (modified)
	* src/Actions/AnalysisAction/PairCorrelationAction.cpp (modified)
	* src/Actions/FragmentationAction/DepthFirstSearchAction.cpp (modified)
	* src/Actions/Makefile.am (modified)
	* src/Actions/MapOfActions.cpp (modified)
	* src/Actions/MapOfActions.hpp (modified)
	* src/Actions/TesselationAction/ConvexEnvelopeAction.cpp (modified)
	* src/Actions/WorldAction/CenterOnEdgeAction.cpp (modified)
	* src/Actions/WorldAction/OutputAction.cpp (modified)
	* src/Actions/WorldAction/SetOutputFormatsAction.cpp (added)
	* src/Actions/WorldAction/SetOutputFormatsAction.hpp (added)
	* src/CommandLineParser.cpp (modified)
	* src/Legacy/oldmenu.cpp (modified)
	* src/Makefile.am (modified)
	* src/UIElements/CommandLineUI/CommandLineDialog.cpp (modified)
	* src/UIElements/CommandLineUI/CommandLineDialog.hpp (modified)
	* src/UIElements/Dialog.cpp (modified)
	* src/UIElements/Dialog.hpp (modified)
	* src/UIElements/QT4/QTDialog.cpp (modified)
	* src/UIElements/QT4/QTDialog.hpp (modified)
	* src/UIElements/TextUI/TextDialog.cpp (modified)
	* src/UIElements/TextUI/TextDialog.hpp (modified)
	* src/UIElements/TextUI/TextWindow.cpp (modified)
	* src/boundary.cpp (modified)
	* src/boundary.hpp (modified)
	* src/builder.cpp (modified)
	* src/linkedcell.cpp (modified)
	* src/molecule.hpp (modified)
	* src/molecule_fragmentation.cpp (modified)
	* src/molecule_geometry.cpp (modified)
	* src/molecule_graph.cpp (modified)
	* src/moleculelist.cpp (modified)
	* src/tesselation.cpp (modified)
	* src/tesselationhelpers.cpp (modified)
	* src/triangleintersectionlist.cpp (modified)
	* tests/Tesselations/defs.in (modified)
	* tests/regression/testsuite-analysis.at (modified)
	* tests/regression/testsuite-domain.at (modified)
	* tests/regression/testsuite-filling.at (modified)
	* tests/regression/testsuite-fragmentation.at (modified)
	* tests/regression/testsuite-graph.at (modified)
	* tests/regression/testsuite-molecules.at (modified)
	* tests/regression/testsuite-simple_configuration.at (modified)
	* tests/regression/testsuite-specifics.at (modified)
	* tests/regression/testsuite-standard_options.at (modified)
	* tests/regression/testsuite-tesselation.at (modified)

	Merge branch 'stable' into StructureRefactoring

	Conflicts:
	        ...


Wed, 07 Jul 2010 15:55:33 GMT Tillmann Crueger <crueger@…> [5630bd]
	* src/unittests/MatrixUnittest.cpp (added)
	* src/unittests/MatrixUnittest.hpp (added)

	Added Unittests for the matrix class


Wed, 07 Jul 2010 13:57:05 GMT Tillmann Crueger <crueger@…> [0eb2dc]
	* src/Matrix.cpp (modified)
	* src/Matrix.hpp (modified)
	* src/unittests/Makefile.am (modified)

	Added comparison Operator to matrix class


Wed, 07 Jul 2010 13:46:59 GMT Frederik Heber <heber@…> [ed6dd8]
	* src/Actions/ParserAction/LoadXyzAction.cpp (modified)

	FIX: newly parsed-in atoms should always end up in their own molecule ...


Wed, 07 Jul 2010 13:11:46 GMT Tillmann Crueger <crueger@…> [3dbb9d]
	* src/Matrix.cpp (modified)
	* src/Matrix.hpp (modified)
	* src/VectorContent.hpp (modified)

	Added methods to matrix to create vectors for rows and columns


Wed, 07 Jul 2010 12:43:34 GMT Tillmann Crueger <crueger@…> [8e17d6]
	* src/Matrix.hpp (modified)
	* src/VectorContent.hpp (modified)
	* src/vector.hpp (modified)

	Added VectorContent types that allow making vectors from views


Wed, 07 Jul 2010 12:26:05 GMT Tillmann Crueger <crueger@…> [5e8e02]
	* src/Exceptions/CustomException.cpp (modified)
	* src/atom_graphnodeinfo.cpp (modified)
	* src/atom_particleinfo.cpp (modified)
	* src/atom_particleinfo.hpp (modified)
	* src/gslvector.cpp (modified)
	* src/verbose.cpp (modified)

	Repaired broken NO_MEMDEBUG build-path


Wed, 07 Jul 2010 11:53:05 GMT Frederik Heber <heber@…> [86cff86]
	* src/Actions/AtomAction/ChangeElementAction.cpp (modified)
	* src/Actions/MapOfActions.cpp (modified)
	* src/Actions/WorldAction/InputAction.cpp (modified)
	* src/Parser/FormatParserStorage.cpp (modified)
	* src/Parser/FormatParserStorage.hpp (modified)
	* src/Parser/XyzParser.cpp (modified)
	* src/unittests/ParserUnitTest.cpp (modified)
	* tests/regression/Domain/6/post/test-x.xyz (moved)
	* tests/regression/Domain/6/post/test-y.xyz (moved)
	* tests/regression/Domain/6/post/test-z.xyz (moved)
	* tests/regression/Domain/6/post/test.xyz (moved)
	* tests/regression/Fragmentation/2/post/BondFragment0.xyz (moved)
	* tests/regression/Fragmentation/2/post/BondFragment1.xyz (moved)
	* tests/regression/Fragmentation/2/post/BondFragment2.xyz (moved)
	* tests/regression/Fragmentation/2/post/BondFragment3.xyz (moved)
	* tests/regression/Fragmentation/2/post/BondFragment4.xyz (moved)
	* tests/regression/Molecules/6/post/test2.conf (moved)
	* tests/regression/Molecules/6/pre/test2.conf (added)
	* tests/regression/Simple_configuration/2/post/test.in (moved)
	* tests/regression/Simple_configuration/2/post/test.xyz (moved)
	* tests/regression/Simple_configuration/3/post/test.in (moved)
	* tests/regression/Simple_configuration/3/post/test.xyz (moved)
	* tests/regression/Simple_configuration/3/post/test2.conf (moved)
	* tests/regression/Simple_configuration/3/post/test2.in (added)
	* tests/regression/Simple_configuration/3/post/test2.xyz (added)
	* tests/regression/Simple_configuration/4/post/test.conf.xyz (deleted)
	* tests/regression/Simple_configuration/4/post/test.xyz (added)
	* tests/regression/Simple_configuration/4/pre/test.xyz (added)
	* tests/regression/Simple_configuration/5/post/test.in (moved)
	* tests/regression/Simple_configuration/5/post/test.xyz (moved)
	* tests/regression/Simple_configuration/8/post/test.xyz (moved)
	* tests/regression/Simple_configuration/8/post/test.xyz-sorted (added)
	* tests/regression/testsuite-domain.at (modified)
	* tests/regression/testsuite-simple_configuration.at (modified)

	InputAction now parses all possible formats, not only pcp.

	- new ...


Wed, 07 Jul 2010 11:51:34 GMT Tillmann Crueger <crueger@…> [9d5ddf]
	* src/VectorContent.hpp (modified)
	* src/vector.cpp (modified)

	Added constructor and destructor to VectorContent struct


Wed, 07 Jul 2010 11:35:49 GMT Tillmann Crueger <crueger@…> [7e0a6d]
	* test_all.sh (added)

	Re-Added test script to split up version of molecuilder


Wed, 07 Jul 2010 08:35:30 GMT Frederik Heber <heber@…> [192f6e]
	* src/CommandLineParser.cpp (modified)
	* tests/regression/testsuite-analysis.at (modified)
	* tests/regression/testsuite-domain.at (modified)
	* tests/regression/testsuite-filling.at (modified)
	* tests/regression/testsuite-fragmentation.at (modified)
	* tests/regression/testsuite-graph.at (modified)
	* tests/regression/testsuite-molecules.at (modified)
	* tests/regression/testsuite-simple_configuration.at (modified)
	* tests/regression/testsuite-specifics.at (modified)
	* tests/regression/testsuite-standard_options.at (modified)
	* tests/regression/testsuite-tesselation.at (modified)

	FIX: Removed positional action "input".

	- BUG: This caused that ...


Tue, 06 Jul 2010 15:50:04 GMT Frederik Heber <heber@…> [b540f3]
	* src/Actions/MapOfActions.cpp (modified)
	* tests/regression/testsuite-analysis.at (modified)
	* tests/regression/testsuite-domain.at (modified)
	* tests/regression/testsuite-filling.at (modified)
	* tests/regression/testsuite-molecules.at (modified)
	* tests/regression/testsuite-simple_configuration.at (modified)

	changed validate() for VectorValue, parsing not 10. 10. 10. but "10., ...


Tue, 06 Jul 2010 12:09:56 GMT Frederik Heber <heber@…> [62c3dde]
	* m4/ax_lang_compiler_ms.m4 (added)
	* m4/cppunit.m4 (added)

	Added m4 files containing AX_LANG_COMPILER_MS and AM_PATH_CPPUNIT to ...


Tue, 06 Jul 2010 11:48:01 GMT Ralf Wildenhues <wildenhues@…> [f8be39]
	* src/Makefile.am (modified)

	Fix .git-version rule.

	* src/Makefile.am ($(srcdir)/.git-version): ...


Tue, 06 Jul 2010 11:44:23 GMT Ralf Wildenhues <wildenhues@…> [01a547d]
	* README (modified)

	Document Boost requirement.

	* README: Update.


Mon, 05 Jul 2010 17:36:30 GMT Frederik Heber <heber@…> [f2e502]
	* tests/Tesselations/defs.in (modified)

	FIX: still wrong path given for tests/Tesselations/defs.in


Mon, 05 Jul 2010 17:23:47 GMT Frederik Heber <heber@…> [42c6483]
	* tests/Tesselations/defs.in (modified)

	BUGFIX: wrong absolute path was given instead of @srcdir@ in ...


Mon, 05 Jul 2010 17:23:32 GMT Frederik Heber <heber@…> [6ac15b]
	* configure.ac (modified)

	Switched off ecut testrunner use by default.


Mon, 05 Jul 2010 17:03:53 GMT Frederik Heber <heber@…> [361ba7]
	* src/Actions/Makefile.am (modified)

	Trailing whitespace in src/Actions/Makefile.am


Mon, 05 Jul 2010 17:02:42 GMT Frederik Heber <heber@…> [013a1f1]
	* COPYING (added)
	* INSTALL (added)
	* config/config.guess (added)
	* config/config.sub (added)
	* config/depcomp (added)
	* config/install-sh (added)
	* config/missing (added)

	config/*, INSTALL and COPYING have not been present in the repo.


Sat, 03 Jul 2010 14:02:50 GMT Frederik Heber <heber@…> [2a374e]
	* src/Actions/AnalysisAction/PairCorrelationAction.cpp (modified)

	MEMFIX: AnalysisPairCorrelationAction::performCall() did not free ...