#
# ChangeLog for src/datacreator.hpp
#
# Generated by Trac 1.4.4
# Jan 2, 2025, 7:46:28 PM

Thu, 23 Dec 2010 17:40:13 GMT Frederik Heber <heber@…> [56f73b]
	* src/Actions/Action.hpp (modified)
	* src/Actions/ActionHistory.hpp (modified)
	* src/Actions/ActionRegistry.hpp (modified)
	* src/Actions/ActionSequence.hpp (modified)
	* src/Actions/Action_impl_header.hpp (modified)
	* src/Actions/Action_impl_pre.hpp (modified)
	* src/Actions/AnalysisAction/PrincipalAxisSystemAction.hpp (modified)
	* src/Actions/AnalysisAction/SurfaceCorrelationAction.hpp (modified)
	* src/Actions/AtomAction/AddAction.hpp (modified)
	* src/Actions/AtomAction/ChangeElementAction.hpp (modified)
	* src/Actions/AtomAction/RemoveAction.hpp (modified)
	* src/Actions/AtomAction/RotateAroundOriginByAngleAction.hpp (modified)
	* src/Actions/AtomAction/TranslateAction.hpp (modified)
	* src/Actions/AtomsCalculation.hpp (modified)
	* src/Actions/AtomsCalculation_impl.hpp (modified)
	* src/Actions/Calculation.hpp (modified)
	* src/Actions/Calculation_impl.hpp (modified)
	* src/Actions/CommandAction/BondLengthTableAction.hpp (modified)
	* src/Actions/CommandAction/ElementDbAction.hpp (modified)
	* src/Actions/CommandAction/FastParsingAction.hpp (modified)
	* src/Actions/CommandAction/HelpAction.hpp (modified)
	* src/Actions/CommandAction/VerboseAction.hpp (modified)
	* src/Actions/CommandAction/VersionAction.hpp (modified)
	* src/Actions/CommandAction/WarrantyAction.hpp (modified)
	* src/Actions/ErrorAction.hpp (modified)
	* src/Actions/FragmentationAction/ConstructBondGraphAction.hpp (modified)
	* src/Actions/FragmentationAction/DepthFirstSearchAction.hpp (modified)
	* src/Actions/FragmentationAction/FragmentationAction.hpp (modified)
	* src/Actions/FragmentationAction/SubgraphDissectionAction.hpp (modified)
	* src/Actions/MakroAction.hpp (modified)
	* src/Actions/ManipulateAtomsProcess.hpp (modified)
	* src/Actions/MethodAction.hpp (modified)
	* src/Actions/MoleculeAction/BondFileAction.hpp (modified)
	* src/Actions/MoleculeAction/ChangeNameAction.hpp (modified)
	* src/Actions/MoleculeAction/CopyAction.hpp (modified)
	* src/Actions/MoleculeAction/FillVoidWithMoleculeAction.hpp (modified)
	* src/Actions/MoleculeAction/FillWithMoleculeAction.hpp (modified)
	* src/Actions/MoleculeAction/LinearInterpolationofTrajectoriesAction.hpp (modified)
	* src/Actions/MoleculeAction/LoadAction.hpp (modified)
	* src/Actions/MoleculeAction/RotateAroundSelfByAngleAction.hpp (modified)
	* src/Actions/MoleculeAction/RotateToPrincipalAxisSystemAction.hpp (modified)
	* src/Actions/MoleculeAction/SaveAction.hpp (modified)
	* src/Actions/MoleculeAction/SaveAdjacencyAction.hpp (modified)
	* src/Actions/MoleculeAction/SaveBondsAction.hpp (modified)
	* src/Actions/MoleculeAction/SaveTemperatureAction.hpp (modified)
	* src/Actions/MoleculeAction/SuspendInWaterAction.hpp (modified)
	* src/Actions/MoleculeAction/VerletIntegrationAction.hpp (modified)
	* src/Actions/OptionRegistry.hpp (modified)
	* src/Actions/OptionTrait.hpp (modified)
	* src/Actions/Process.hpp (modified)
	* src/Actions/SelectionAction/Atoms/AllAtomsAction.hpp (modified)
	* src/Actions/SelectionAction/Atoms/AllAtomsInsideCuboidAction.hpp (modified)
	* src/Actions/SelectionAction/Atoms/AllAtomsInsideSphereAction.hpp (modified)
	* src/Actions/SelectionAction/Atoms/AllAtomsOfMoleculeAction.hpp (modified)
	* src/Actions/SelectionAction/Atoms/AtomByElementAction.hpp (modified)
	* src/Actions/SelectionAction/Atoms/AtomByIdAction.hpp (modified)
	* src/Actions/SelectionAction/Atoms/ClearAllAtomsAction.hpp (modified)
	* src/Actions/SelectionAction/Atoms/NotAllAtomsAction.hpp (modified)
	* src/Actions/SelectionAction/Atoms/NotAllAtomsInsideCuboidAction.hpp (modified)
	* src/Actions/SelectionAction/Atoms/NotAllAtomsInsideSphereAction.hpp (modified)
	* src/Actions/SelectionAction/Atoms/NotAllAtomsOfMoleculeAction.hpp (modified)
	* src/Actions/SelectionAction/Atoms/NotAtomByElementAction.hpp (modified)
	* src/Actions/SelectionAction/Atoms/NotAtomByIdAction.hpp (modified)
	* src/Actions/SelectionAction/Molecules/AllMoleculesAction.hpp (modified)
	* src/Actions/SelectionAction/Molecules/ClearAllMoleculesAction.hpp (modified)
	* src/Actions/SelectionAction/Molecules/MoleculeByFormulaAction.hpp (modified)
	* src/Actions/SelectionAction/Molecules/MoleculeByIdAction.hpp (modified)
	* src/Actions/SelectionAction/Molecules/MoleculeByNameAction.hpp (modified)
	* src/Actions/SelectionAction/Molecules/MoleculeByOrderAction.hpp (modified)
	* src/Actions/SelectionAction/Molecules/MoleculeOfAtomAction.hpp (modified)
	* src/Actions/SelectionAction/Molecules/NotAllMoleculesAction.hpp (modified)
	* src/Actions/SelectionAction/Molecules/NotMoleculeByFormulaAction.hpp (modified)
	* src/Actions/SelectionAction/Molecules/NotMoleculeByIdAction.hpp (modified)
	* src/Actions/SelectionAction/Molecules/NotMoleculeByNameAction.hpp (modified)
	* src/Actions/SelectionAction/Molecules/NotMoleculeByOrderAction.hpp (modified)
	* src/Actions/SelectionAction/Molecules/NotMoleculeOfAtomAction.hpp (modified)
	* src/Actions/TesselationAction/ConvexEnvelopeAction.hpp (modified)
	* src/Actions/TesselationAction/NonConvexEnvelopeAction.hpp (modified)
	* src/Actions/ValueStorage.hpp (modified)
	* src/Actions/Values.hpp (modified)
	* src/Actions/WorldAction/AddEmptyBoundaryAction.hpp (modified)
	* src/Actions/WorldAction/BoundInBoxAction.hpp (modified)
	* src/Actions/WorldAction/CenterInBoxAction.hpp (modified)
	* src/Actions/WorldAction/CenterOnEdgeAction.hpp (modified)
	* src/Actions/WorldAction/ChangeBoxAction.hpp (modified)
	* src/Actions/WorldAction/InputAction.hpp (modified)
	* src/Actions/WorldAction/OutputAction.hpp (modified)
	* src/Actions/WorldAction/RepeatBoxAction.hpp (modified)
	* src/Actions/WorldAction/ScaleBoxAction.hpp (modified)
	* src/Actions/WorldAction/SetDefaultNameAction.hpp (modified)
	* src/Actions/WorldAction/SetGaussianBasisAction.hpp (modified)
	* src/Actions/WorldAction/SetOutputFormatsAction.hpp (modified)
	* src/Actions/unittests/ActionRegistryUnitTest.hpp (modified)
	* src/Actions/unittests/ActionSequenceUnitTest.hpp (modified)
	* src/Actions/unittests/AtomsCalculationUnitTest.hpp (modified)
	* src/Actions/unittests/ManipulateAtomsUnitTest.hpp (modified)
	* src/AtomSet.hpp (modified)
	* src/AtomicInfo.hpp (modified)
	* src/BoundaryLineSet.hpp (modified)
	* src/BoundaryMaps.hpp (modified)
	* src/BoundaryPointSet.hpp (modified)
	* src/BoundaryPolygonSet.hpp (modified)
	* src/BoundaryTriangleSet.hpp (modified)
	* src/Box.hpp (modified)
	* src/CandidateForTesselation.hpp (modified)
	* src/Descriptors/AtomDescriptor.hpp (modified)
	* src/Descriptors/AtomDescriptor_impl.hpp (modified)
	* src/Descriptors/AtomIdDescriptor.hpp (modified)
	* src/Descriptors/AtomIdDescriptor_impl.hpp (modified)
	* src/Descriptors/AtomOfMoleculeSelectionDescriptor.hpp (modified)
	* src/Descriptors/AtomOfMoleculeSelectionDescriptor_impl.hpp (modified)
	* src/Descriptors/AtomSelectionDescriptor.hpp (modified)
	* src/Descriptors/AtomSelectionDescriptor_impl.hpp (modified)
	* src/Descriptors/AtomShapeDescriptor.hpp (modified)
	* src/Descriptors/AtomShapeDescriptor_impl.hpp (modified)
	* src/Descriptors/AtomTypeDescriptor.hpp (modified)
	* src/Descriptors/AtomTypeDescriptor_impl.hpp (modified)
	* src/Descriptors/DescriptorBase.hpp (modified)
	* src/Descriptors/DescriptorBase_impl.hpp (modified)
	* src/Descriptors/MoleculeDescriptor.hpp (modified)
	* src/Descriptors/MoleculeDescriptor_impl.hpp (modified)
	* src/Descriptors/MoleculeFormulaDescriptor.hpp (modified)
	* src/Descriptors/MoleculeFormulaDescriptor_impl.hpp (modified)
	* src/Descriptors/MoleculeIdDescriptor.hpp (modified)
	* src/Descriptors/MoleculeIdDescriptor_impl.hpp (modified)
	* src/Descriptors/MoleculeNameDescriptor.hpp (modified)
	* src/Descriptors/MoleculeNameDescriptor_impl.hpp (modified)
	* src/Descriptors/MoleculeOfAtomSelectionDescriptor.hpp (modified)
	* src/Descriptors/MoleculeOfAtomSelectionDescriptor_impl.hpp (modified)
	* src/Descriptors/MoleculeOrderDescriptor.hpp (modified)
	* src/Descriptors/MoleculeOrderDescriptor_impl.hpp (modified)
	* src/Descriptors/MoleculePtrDescriptor.hpp (modified)
	* src/Descriptors/MoleculePtrDescriptor_impl.hpp (modified)
	* src/Descriptors/MoleculeSelectionDescriptor.hpp (modified)
	* src/Descriptors/MoleculeSelectionDescriptor_impl.hpp (modified)
	* src/Descriptors/SelectiveIterator.hpp (modified)
	* src/Descriptors/SelectiveIterator_impl.hpp (modified)
	* src/Descriptors/unittests/AtomDescriptorUnitTest.hpp (modified)
	* src/Descriptors/unittests/MoleculeDescriptorUnitTest.hpp (modified)
	* src/Exceptions/CustomException.hpp (modified)
	* src/Exceptions/IllegalTypeException.hpp (modified)
	* src/Exceptions/LinearDependenceException.hpp (modified)
	* src/Exceptions/MathException.hpp (modified)
	* src/Exceptions/MissingValueException.hpp (modified)
	* src/Exceptions/MultipleSolutionsException.hpp (modified)
	* src/Exceptions/NotInvertibleException.hpp (modified)
	* src/Exceptions/NotOnSurfaceException.hpp (modified)
	* src/Exceptions/ParseError.hpp (modified)
	* src/Exceptions/ShapeException.hpp (modified)
	* src/Exceptions/SkewException.hpp (modified)
	* src/Exceptions/ZeroVectorException.hpp (modified)
	* src/Formula.hpp (modified)
	* src/Helpers/defs.hpp (modified)
	* src/Helpers/fast_functions.hpp (modified)
	* src/LinearAlgebra/BoxVector.hpp (modified)
	* src/LinearAlgebra/Eigenspace.hpp (modified)
	* src/LinearAlgebra/Line.hpp (modified)
	* src/LinearAlgebra/LineSegment.hpp (modified)
	* src/LinearAlgebra/LineSegmentSet.hpp (modified)
	* src/LinearAlgebra/MatrixContent.hpp (modified)
	* src/LinearAlgebra/MatrixVector_ops.hpp (modified)
	* src/LinearAlgebra/Plane.hpp (modified)
	* src/LinearAlgebra/RealSpaceMatrix.hpp (modified)
	* src/LinearAlgebra/Space.hpp (modified)
	* src/LinearAlgebra/Subspace.hpp (modified)
	* src/LinearAlgebra/VectorContent.hpp (modified)
	* src/LinearAlgebra/VectorInterface.hpp (modified)
	* src/LinearAlgebra/VectorSet.hpp (modified)
	* src/LinearAlgebra/unittests/LineUnitTest.hpp (modified)
	* src/LinearAlgebra/unittests/LinearSystemOfEquationsUnitTest.hpp (modified)
	* src/LinearAlgebra/unittests/MatrixContentSymmetricUnitTest.hpp (modified)
	* src/LinearAlgebra/unittests/MatrixContentUnitTest.hpp (modified)
	* src/LinearAlgebra/unittests/MatrixUnitTest.hpp (modified)
	* src/LinearAlgebra/unittests/PlaneUnitTest.hpp (modified)
	* src/LinearAlgebra/unittests/VectorContentUnitTest.hpp (modified)
	* src/LinearAlgebra/unittests/VectorUnitTest.hpp (modified)
	* src/LinearAlgebra/vector_ops.hpp (modified)
	* src/Parser/ChangeTracker.hpp (modified)
	* src/Parser/FormatParser.hpp (modified)
	* src/Parser/MpqcParser.hpp (modified)
	* src/Parser/PcpParser.hpp (modified)
	* src/Parser/PdbAtomInfoContainer.hpp (modified)
	* src/Parser/PdbKey.hpp (modified)
	* src/Parser/PdbParser.hpp (modified)
	* src/Parser/TremoloAtomInfoContainer.hpp (modified)
	* src/Parser/TremoloKey.hpp (modified)
	* src/Parser/TremoloParser.hpp (modified)
	* src/Parser/XyzParser.hpp (modified)
	* src/Parser/unittests/ParserCommonUnitTest.hpp (modified)
	* src/Parser/unittests/ParserTremoloUnitTest.hpp (modified)
	* src/PointCloud.hpp (modified)
	* src/Shapes/BaseShapes.hpp (modified)
	* src/Shapes/BaseShapes_impl.hpp (modified)
	* src/Shapes/Shape.hpp (modified)
	* src/Shapes/ShapeOps.hpp (modified)
	* src/Shapes/ShapeOps_impl.hpp (modified)
	* src/Shapes/Shape_impl.hpp (modified)
	* src/Shapes/unittests/ShapeUnitTest.hpp (modified)
	* src/SubspaceFactorizer.cpp (modified)
	* src/TesselPoint.hpp (modified)
	* src/Thermostats/Berendsen.hpp (modified)
	* src/Thermostats/GaussianThermostat.hpp (modified)
	* src/Thermostats/Langevin.hpp (modified)
	* src/Thermostats/NoThermostat.hpp (modified)
	* src/Thermostats/NoseHoover.hpp (modified)
	* src/Thermostats/Thermostat.hpp (modified)
	* src/Thermostats/Woodcock.hpp (modified)
	* src/UIElements/CommandLineUI/CommandLineDialog.hpp (modified)
	* src/UIElements/CommandLineUI/CommandLineParser.hpp (modified)
	* src/UIElements/CommandLineUI/CommandLineParser_validate.hpp (modified)
	* src/UIElements/CommandLineUI/CommandLineStatusIndicator.hpp (modified)
	* src/UIElements/CommandLineUI/CommandLineUIFactory.hpp (modified)
	* src/UIElements/CommandLineUI/CommandLineWindow.hpp (modified)
	* src/UIElements/CommandLineUI/Query/CommandLineQuery.hpp (modified)
	* src/UIElements/CommandLineUI/TypeEnumContainer.hpp (modified)
	* src/UIElements/Dialog.hpp (modified)
	* src/UIElements/MainWindow.hpp (modified)
	* src/UIElements/Menu/Menu.hpp (modified)
	* src/UIElements/Menu/MenuDescription.hpp (modified)
	* src/UIElements/Menu/MenuInterface.hpp (modified)
	* src/UIElements/Menu/Qt4/QtMenu.hpp (modified)
	* src/UIElements/Menu/Qt4/QtMenuPipe.hpp (modified)
	* src/UIElements/Menu/TextMenu/ActionMenuItem.hpp (modified)
	* src/UIElements/Menu/TextMenu/DisplayMenuItem.hpp (modified)
	* src/UIElements/Menu/TextMenu/MenuItem.hpp (modified)
	* src/UIElements/Menu/TextMenu/SeparatorMenuItem.hpp (modified)
	* src/UIElements/Menu/TextMenu/SubMenuItem.hpp (modified)
	* src/UIElements/Menu/TextMenu/TextMenu.hpp (modified)
	* src/UIElements/Menu/TextMenu/TxMenu.hpp (modified)
	* src/UIElements/Menu/TextMenu/TxMenuLeaveAction.hpp (modified)
	* src/UIElements/Menu/unittests/MenuDescriptionUnitTest.hpp (modified)
	* src/UIElements/Qt4/Pipe/AtomQtQueryPipe.hpp (modified)
	* src/UIElements/Qt4/Pipe/AtomsQtQueryPipe.hpp (modified)
	* src/UIElements/Qt4/Pipe/BooleanQtQueryPipe.hpp (modified)
	* src/UIElements/Qt4/Pipe/BoxQtQueryPipe.hpp (modified)
	* src/UIElements/Qt4/Pipe/DoubleQtQueryPipe.hpp (modified)
	* src/UIElements/Qt4/Pipe/ElementQtQueryPipe.hpp (modified)
	* src/UIElements/Qt4/Pipe/ElementsQtQueryPipe.hpp (modified)
	* src/UIElements/Qt4/Pipe/EmptyQtQueryPipe.hpp (modified)
	* src/UIElements/Qt4/Pipe/FileQtQueryPipe.hpp (modified)
	* src/UIElements/Qt4/Pipe/IntQtQueryPipe.hpp (modified)
	* src/UIElements/Qt4/Pipe/MoleculeQtQueryPipe.hpp (modified)
	* src/UIElements/Qt4/Pipe/MoleculesQtQueryPipe.hpp (modified)
	* src/UIElements/Qt4/Pipe/QtQueryListPipe.hpp (modified)
	* src/UIElements/Qt4/Pipe/QtQueryPipe.hpp (modified)
	* src/UIElements/Qt4/Pipe/StringQtQueryPipe.hpp (modified)
	* src/UIElements/Qt4/Pipe/VectorQtQueryPipe.hpp (modified)
	* src/UIElements/Qt4/Pipe/VectorsQtQueryPipe.hpp (modified)
	* src/UIElements/Qt4/QtDialog.hpp (modified)
	* src/UIElements/Qt4/QtMainWindow.hpp (modified)
	* src/UIElements/Qt4/QtUIFactory.hpp (modified)
	* src/UIElements/Qt4/Query/QtQuery.hpp (modified)
	* src/UIElements/TextUI/Query/TextQuery.hpp (modified)
	* src/UIElements/TextUI/TextDialog.hpp (modified)
	* src/UIElements/TextUI/TextStatusIndicator.hpp (modified)
	* src/UIElements/TextUI/TextUIFactory.hpp (modified)
	* src/UIElements/TextUI/TextWindow.hpp (modified)
	* src/UIElements/UIFactory.hpp (modified)
	* src/UIElements/Views/MethodStringView.hpp (modified)
	* src/UIElements/Views/Qt4/GLMoleculeView.hpp (modified)
	* src/UIElements/Views/Qt4/QtMoleculeView.hpp (modified)
	* src/UIElements/Views/Qt4/QtStatusBar.hpp (modified)
	* src/UIElements/Views/Qt4/QtWorldView.hpp (modified)
	* src/UIElements/Views/StreamStringView.hpp (modified)
	* src/UIElements/Views/StringView.hpp (modified)
	* src/UIElements/Views/View.hpp (modified)
	* src/World_calculations.hpp (modified)
	* src/builder_init.hpp (modified)
	* src/datacreator.hpp (modified)
	* src/elements_db.hpp (modified)
	* src/lists.hpp (modified)
	* src/types.hpp (modified)
	* src/unittests/AnalysisBondsUnitTest.hpp (modified)
	* src/unittests/AnalysisCorrelationToPointUnitTest.hpp (modified)
	* src/unittests/AnalysisCorrelationToSurfaceUnitTest.hpp (modified)
	* src/unittests/AnalysisPairCorrelationUnitTest.hpp (modified)
	* src/unittests/BondGraphUnitTest.hpp (modified)
	* src/unittests/BoxUnitTest.hpp (modified)
	* src/unittests/CountBondsUnitTest.hpp (modified)
	* src/unittests/DummyUI.hpp (modified)
	* src/unittests/FormulaUnitTest.hpp (modified)
	* src/unittests/LinkedCellUnitTest.hpp (modified)
	* src/unittests/ListOfBondsUnitTest.hpp (modified)
	* src/unittests/PeriodentafelUnitTest.hpp (modified)
	* src/unittests/SubspaceFactorizerUnitTest.hpp (modified)
	* src/unittests/TesselationUnitTest.hpp (modified)
	* src/unittests/Tesselation_BoundaryTriangleUnitTest.hpp (modified)
	* src/unittests/Tesselation_InsideOutsideUnitTest.hpp (modified)
	* tests/CodeChecks/Makefile.am (modified)
	* tests/CodeChecks/testsuite-config_h.at (added)
	* tests/CodeChecks/testsuite-memdebug.at (added)
	* tests/CodeChecks/testsuite.at (modified)

	Added config.h also to all header files, code check test ascertain ...


Fri, 02 Jul 2010 13:19:32 GMT Tillmann Crueger <crueger@…> [986ed3]
	* src/Actions/ActionRegistry.hpp (modified)
	* src/Actions/AtomsCalculation_impl.hpp (modified)
	* src/Actions/MapOfActions.cpp (modified)
	* src/ConfigFileBuffer.hpp (modified)
	* src/Exceptions/CustomException.hpp (modified)
	* src/Helpers/Assert.hpp (modified)
	* src/Matrix.hpp (modified)
	* src/Parser/MpqcParser.hpp (modified)
	* src/Parser/PcpParser.hpp (modified)
	* src/Patterns/Cacheable.hpp (modified)
	* src/Plane.hpp (modified)
	* src/UIElements/Views/StreamStringView.hpp (modified)
	* src/atom.hpp (modified)
	* src/atom_particleinfo.hpp (modified)
	* src/bondgraph.hpp (modified)
	* src/boundary.cpp (modified)
	* src/boundary.hpp (modified)
	* src/datacreator.hpp (modified)
	* src/element.hpp (modified)
	* src/errorlogger.cpp (modified)
	* src/errorlogger.hpp (modified)
	* src/gslvector.hpp (modified)
	* src/helpers.cpp (modified)
	* src/logger.cpp (modified)
	* src/logger.hpp (modified)
	* src/molecule_graph.cpp (modified)
	* src/periodentafel.hpp (modified)
	* src/tesselationhelpers.hpp (modified)
	* src/vector.hpp (modified)
	* src/verbose.hpp (modified)

	COMPILE_SPEEDUP: Replaced all implicit inclusions of iostream with ...


Fri, 09 Oct 2009 10:54:52 GMT Frederik Heber <heber@…> [f66195]
	* src/ActOnAllUnitTest.cpp (modified)
	* src/Makefile.am (modified)
	* src/atom.cpp (modified)
	* src/atom.hpp (modified)
	* src/bond.cpp (modified)
	* src/bond.hpp (modified)
	* src/boundary.cpp (modified)
	* src/boundary.hpp (modified)
	* src/builder.cpp (modified)
	* src/config.cpp (modified)
	* src/config.hpp (modified)
	* src/datacreator.cpp (modified)
	* src/datacreator.hpp (modified)
	* src/element.hpp (modified)
	* src/ellipsoid.cpp (modified)
	* src/ellipsoid.hpp (modified)
	* src/graph.cpp (modified)
	* src/graph.hpp (modified)
	* src/helpers.cpp (modified)
	* src/helpers.hpp (modified)
	* src/leastsquaremin.cpp (modified)
	* src/leastsquaremin.hpp (modified)
	* src/linkedcell.cpp (modified)
	* src/linkedcell.hpp (modified)
	* src/lists.hpp (added)
	* src/memoryallocator.hpp (modified)
	* src/memoryusageobserver.hpp (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/molecule_template.hpp (modified)
	* src/moleculelist.cpp (modified)
	* src/parser.cpp (modified)
	* src/parser.hpp (modified)
	* src/periodentafel.cpp (modified)
	* src/periodentafel.hpp (modified)
	* src/stackclass.hpp (modified)
	* src/tesselation.cpp (modified)
	* src/tesselation.hpp (modified)
	* src/tesselationhelpers.cpp (modified)
	* src/tesselationhelpers.hpp (modified)
	* src/tesselationunittest.hpp (modified)
	* src/vector.hpp (modified)
	* src/verbose.cpp (modified)
	* src/verbose.hpp (modified)

	forward declarations used to untangle interdependet classes.

	- ...


Fri, 24 Jul 2009 10:38:32 GMT Frederik Heber <heber@…> [36ec71]
	* src/Makefile.am (modified)
	* src/analyzer.cpp (modified)
	* src/atom.cpp (modified)
	* src/bond.cpp (modified)
	* src/boundary.cpp (modified)
	* src/builder.cpp (modified)
	* src/config.cpp (modified)
	* src/datacreator.cpp (modified)
	* src/datacreator.hpp (modified)
	* src/defs.hpp (modified)
	* src/graph.cpp (modified)
	* src/graph.hpp (added)
	* src/joiner.cpp (modified)
	* src/moleculelist.cpp (modified)
	* src/molecules.cpp (modified)
	* src/molecules.hpp (modified)
	* src/parser.cpp (modified)
	* src/parser.hpp (modified)

	Merge branch 'master' into ConcaveHull

	Conflicts:

	        ...


Thu, 23 Jul 2009 13:45:24 GMT Frederik Heber <heber@…> [d067d45]
	* src/#border.cpp# (deleted)
	* src/#makefile# (deleted)
	* src/#molecules.hpp# (deleted)
	* src/Makefile.am (modified)
	* src/analyzer.cpp (modified)
	* src/atom.cpp (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/element.cpp (modified)
	* src/ellipsoid.cpp (added)
	* src/ellipsoid.hpp (added)
	* src/graph.cpp (modified)
	* src/helpers.cpp (modified)
	* src/helpers.hpp (modified)
	* src/joiner.cpp (modified)
	* src/linkedcell.cpp (added)
	* src/linkedcell.hpp (added)
	* src/moleculelist.cpp (modified)
	* src/molecules.cpp (modified)
	* src/molecules.hpp (modified)
	* src/parser.cpp (modified)
	* src/parser.hpp (modified)
	* src/periodentafel.hpp (modified)
	* src/stackclass.hpp (modified)
	* src/vector.cpp (modified)
	* src/vector.hpp (modified)
	* src/verbose.cpp (modified)

	Merge branch 'MultipleMolecules'

	Conflicts:

	        ...


Thu, 23 Jul 2009 09:14:18 GMT Frederik Heber <heber@…> [b38b64]
	* src/analyzer.cpp (modified)
	* src/datacreator.cpp (modified)
	* src/datacreator.hpp (modified)
	* src/joiner.cpp (modified)
	* src/parser.cpp (modified)
	* src/parser.hpp (modified)

	Merge branch 'HessianMatrix'


Thu, 09 Jul 2009 10:38:53 GMT Frederik Heber <heber@…> [1c6081]
	* src/datacreator.cpp (modified)
	* src/datacreator.hpp (modified)
	* src/parser.cpp (modified)
	* src/parser.hpp (modified)

	fixed compiler warning: deprecated conversion from string const to ...


Mon, 09 Feb 2009 17:24:10 GMT Frederik Heber <heber@…> [6ac7ee]
	* ChangeLog (modified)
	* Makefile.am (modified)
	* configure.ac (modified)
	* doc/Doxyfile (modified)
	* doc/Makefile.am (modified)
	* m4/ac_doxygen.m4 (modified)
	* m4/acx_compilerflags.m4 (modified)
	* src/.#border.cpp (deleted)
	* src/.#molecules.hpp (deleted)
	* src/Hbondangle.db (modified)
	* src/Hbonddistance.db (modified)
	* src/Makefile.am (modified)
	* src/analyzer.cpp (modified)
	* src/atom.cpp (modified)
	* src/bond.cpp (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.cpp (modified)
	* src/elements.db (modified)
	* src/ellipsoid.cpp (added)
	* src/ellipsoid.hpp (added)
	* src/graph.cpp (modified)
	* src/helpers.cpp (modified)
	* src/helpers.hpp (modified)
	* src/joiner.cpp (modified)
	* src/linkedcell.cpp (modified)
	* src/linkedcell.hpp (modified)
	* src/moleculelist.cpp (modified)
	* src/molecules.cpp (modified)
	* src/molecules.hpp (modified)
	* src/orbitals.db (modified)
	* src/parser.cpp (modified)
	* src/parser.hpp (modified)
	* src/periodentafel.cpp (modified)
	* src/periodentafel.hpp (modified)
	* src/stackclass.hpp (modified)
	* src/valence.db (modified)
	* src/vector.cpp (modified)
	* src/vector.hpp (modified)
	* src/verbose.cpp (modified)
	* tests/Makefile.am (modified)
	* tests/atlocal.in (modified)
	* tests/molecuilder.in (modified)
	* tests/testsuite.at (modified)

	Merge branch 'ConcaveHull' of ../espack2 into ConcaveHull
 ...


Mon, 29 Dec 2008 21:46:58 GMT Frederik Heber <heber@…> [cc2ee5]
	* ChangeLog (modified)
	* Makefile.am (modified)
	* configure.ac (modified)
	* doc/Doxyfile (modified)
	* doc/Makefile.am (modified)
	* m4/ac_doxygen.m4 (modified)
	* m4/acx_compilerflags.m4 (modified)
	* src/.#border.cpp (deleted)
	* src/.#molecules.hpp (deleted)
	* src/Hbondangle.db (modified)
	* src/Hbonddistance.db (modified)
	* src/Makefile.am (modified)
	* src/analyzer.cpp (modified)
	* src/atom.cpp (modified)
	* src/bond.cpp (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.cpp (modified)
	* src/elements.db (modified)
	* src/graph.cpp (modified)
	* src/helpers.cpp (modified)
	* src/helpers.hpp (modified)
	* src/joiner.cpp (modified)
	* src/moleculelist.cpp (modified)
	* src/molecules.cpp (modified)
	* src/molecules.hpp (modified)
	* src/orbitals.db (modified)
	* src/parser.cpp (modified)
	* src/parser.hpp (modified)
	* src/periodentafel.cpp (modified)
	* src/periodentafel.hpp (modified)
	* src/stackclass.hpp (modified)
	* src/valence.db (modified)
	* src/vector.cpp (modified)
	* src/vector.hpp (modified)
	* src/verbose.cpp (modified)
	* tests/Makefile.am (modified)
	* tests/atlocal.in (modified)
	* tests/molecuilder.in (modified)
	* tests/testsuite.at (modified)

	Just a temporary commit


Thu, 30 Oct 2008 16:17:23 GMT Frederik Heber <heber@…> [05d2b2]
	* src/datacreator.cpp (modified)
	* src/datacreator.hpp (modified)

	Implemented Frobenius norm calculation for class HessianMatrix
 ...


Thu, 30 Oct 2008 16:17:23 GMT Frederik Heber <heber@…> [b12a35]
	* src/analyzer.cpp (modified)
	* src/datacreator.cpp (modified)
	* src/datacreator.hpp (modified)
	* src/joiner.cpp (modified)
	* src/parser.cpp (modified)
	* src/parser.hpp (modified)

	HessianMatrix implemented fully, but not yet working, probably due to ...


Wed, 15 Oct 2008 18:20:40 GMT Frederik Heber <heber@…> [19f3d6]
	* src/datacreator.cpp (modified)
	* src/datacreator.hpp (modified)

	new function AppendOutputFile() for appending to output files whereas ...


Thu, 24 Jul 2008 14:00:19 GMT Frederik Heber <heber@…> [390248]
	* src/analyzer.cpp (modified)
	* src/datacreator.cpp (modified)
	* src/datacreator.hpp (modified)
	* src/defs.hpp (modified)
	* src/joiner.cpp (modified)
	* src/moleculelist.cpp (modified)
	* src/molecules.cpp (modified)
	* src/molecules.hpp (modified)
	* src/parser.cpp (modified)
	* src/parser.hpp (modified)

	BIG change: Hcorrection included and bugfix of analyzer (wrt forces)
 ...


Fri, 18 Apr 2008 11:26:42 GMT Frederik Heber <heber@…> [14de469]
	* AUTHORS (added)
	* ChangeLog (added)
	* Makefile.am (added)
	* NEWS (added)
	* README (added)
	* autogen.sh (added)
	* configure.ac (added)
	* doc/Doxyfile (added)
	* doc/Makefile.am (added)
	* m4/ac_doxygen.m4 (added)
	* src/Hbondangle.db (added)
	* src/Hbonddistance.db (added)
	* src/Makefile.am (added)
	* src/analyzer.cpp (added)
	* src/atom.cpp (added)
	* src/bond.cpp (added)
	* src/builder.cpp (added)
	* src/config.cpp (added)
	* src/datacreator.cpp (added)
	* src/datacreator.hpp (added)
	* src/defs.hpp (added)
	* src/element.cpp (added)
	* src/elements.db (added)
	* src/graph.cpp (added)
	* src/helpers.cpp (added)
	* src/helpers.hpp (added)
	* src/joiner.cpp (added)
	* src/moleculelist.cpp (added)
	* src/molecules.cpp (added)
	* src/molecules.hpp (added)
	* src/orbitals.db (added)
	* src/parser.cpp (added)
	* src/parser.hpp (added)
	* src/periodentafel.cpp (added)
	* src/valence.db (added)
	* src/vector.cpp (added)
	* src/verbose.cpp (added)

	-initial commit
	-Minimum set of files needed from ESPACK SVN ...