# # ChangeLog for src/vector.cpp # # Generated by Trac 1.4.4 # Apr 11, 2025, 7:37:29 PM Thu, 22 Jul 2010 15:22:22 GMT Tillmann Crueger [421a1f] * src/vector.cpp (modified) * src/vector.hpp (modified) Added a method that allows simple construction of new normalized ... Wed, 14 Jul 2010 12:42:13 GMT Tillmann Crueger [407782] * src/unittests/LineUnittest.cpp (modified) * src/unittests/MatrixUnittest.cpp (modified) * src/unittests/PlaneUnittest.cpp (modified) * src/unittests/ShapeUnittest.cpp (modified) * src/vector.cpp (modified) * src/vector.hpp (modified) Replaced the three single unitVectors with an array to the unitVectors Wed, 07 Jul 2010 11:51:34 GMT Tillmann Crueger [9d5ddf] * src/VectorContent.hpp (modified) * src/vector.cpp (modified) Added constructor and destructor to VectorContent struct Fri, 02 Jul 2010 14:58:25 GMT Tillmann Crueger [ce3d2b] * src/Matrix.cpp (modified) * src/VectorContent.hpp (added) * src/gslvector.cpp (modified) * src/vector.cpp (modified) * src/vector.hpp (modified) Added a "forward declaration" to the gsl_vector struct to avoid ... Thu, 01 Jul 2010 14:48:50 GMT Tillmann Crueger [4b94bb] * src/Matrix.cpp (modified) * src/Matrix.hpp (modified) * src/vector.cpp (modified) * src/vector.hpp (modified) Moved Vector-Matrix operations to matrix class Thu, 01 Jul 2010 14:37:53 GMT Tillmann Crueger [c550dd] * src/atom.cpp (modified) * src/atom.hpp (modified) * src/molecule.cpp (modified) * src/molecule.hpp (modified) * src/unittests/vectorunittest.cpp (modified) * src/unittests/vectorunittest.hpp (modified) * src/vector.cpp (modified) * src/vector.hpp (modified) Removed the VectorIsInParallelepiped in favor of more general methods ... Thu, 01 Jul 2010 14:10:14 GMT Tillmann Crueger [b5bf84] * src/vector.cpp (modified) * src/vector.hpp (modified) Added a method that allows to scale all components of one vector with ... Thu, 01 Jul 2010 13:44:39 GMT Tillmann Crueger [014475] * src/Box.cpp (modified) * src/Box.hpp (modified) * src/VectorSet.hpp (modified) * src/analysis_correlation.cpp (modified) * src/molecule_graph.cpp (modified) * src/vector.cpp (modified) * src/vector.hpp (modified) Made all places use the periodicDistance() and ... Wed, 30 Jun 2010 15:39:55 GMT Tillmann Crueger [f429d7] * src/Box.cpp (modified) * src/Box.hpp (modified) * src/molecule_geometry.cpp (modified) * src/vector.cpp (modified) * src/vector.hpp (modified) Move Vector::WrapPeriodically to Box class Wed, 30 Jun 2010 12:20:34 GMT Tillmann Crueger [9df5c6] * src/atom.cpp (modified) * src/atom.hpp (modified) * src/molecule.cpp (modified) * src/molecule.hpp (modified) * src/unittests/vectorunittest.cpp (modified) * src/vector.cpp (modified) * src/vector.hpp (modified) Made the Vector::IsInParallelepiped() method take a matrix instead of ... Wed, 30 Jun 2010 10:47:06 GMT Tillmann Crueger [4b0cbb] * src/molecule_graph.cpp (modified) * src/vector.cpp (modified) * src/vector.hpp (modified) Made the Vector::PeriodicDistance() and ... Wed, 30 Jun 2010 09:00:19 GMT Tillmann Crueger [5108e1] * 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) Removed MatrixMultiplication() method from Vector class Sat, 26 Jun 2010 12:38:28 GMT Tillmann Crueger [4d206f] * src/vector.cpp (modified) Replaced Vector::PeriodicDistance() method with call to ... Sat, 26 Jun 2010 12:35:18 GMT Tillmann Crueger [a679d1] * src/boundary.cpp (modified) * src/ellipsoid.cpp (modified) * src/vector.cpp (modified) Replaced Matrix access with direct access at several places Sat, 26 Jun 2010 11:59:50 GMT Tillmann Crueger [63d2b8] * src/vector.cpp (modified) * src/vector.hpp (modified) Removed unused Vector::KeepPeriodic() method. Sat, 26 Jun 2010 11:33:17 GMT Tillmann 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 [2f1a7a] * src/vector.cpp (modified) * src/vector.hpp (modified) Removed Vector::InverseMatrixMultiplication() method Fri, 25 Jun 2010 15:27:35 GMT Tillmann 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 13:44:07 GMT Tillmann 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 10:29:57 GMT Tillmann Crueger [923b6c] * src/vector.cpp (modified) Used BLAS support of GSL to calculate scalarProducts Fri, 25 Jun 2010 10:17:22 GMT Tillmann Crueger [93987b] * src/vector.cpp (modified) Made the Vector use more gsl-operations internally Thu, 17 Jun 2010 15:09:22 GMT Tillmann 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, 10 Jun 2010 13:11:28 GMT Tillmann 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 Fri, 04 Jun 2010 09:28:46 GMT Tillmann 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: ... Wed, 02 Jun 2010 11:03:06 GMT Tillmann Crueger [0c7ed8] * src/gslvector.cpp (modified) * src/gslvector.hpp (modified) * src/linearsystemofequations.cpp (modified) * src/vector.cpp (modified) * src/vector.hpp (modified) Passed the internal gsl_vector structure from Vector to ... Wed, 02 Jun 2010 10:51:38 GMT Tillmann Crueger [d690fa] * src/vector.cpp (modified) * src/vector.hpp (modified) Replaced array inside of Vector with gsl_vector structure. Wed, 02 Jun 2010 10:46:31 GMT Tillmann Crueger [d466f0] * src/vector.cpp (modified) * src/vector.hpp (modified) Made the internal parts of Vector use accessor functions instead of ... Mon, 31 May 2010 17:32:27 GMT Frederik Heber [1024cb] * src/Actions/FragmentationAction/DepthFirstSearchAction.cpp (modified) * src/Actions/TesselationAction/NonConvexEnvelopeAction.cpp (modified) * src/Actions/WorldAction/RepeatBoxAction.cpp (modified) * src/Helpers/Assert.cpp (modified) * src/Helpers/MemDebug.cpp (modified) * src/Helpers/MemDebug.hpp (modified) * src/Legacy/oldmenu.cpp (modified) * src/Makefile.am (modified) * src/Patterns/Cacheable.hpp (modified) * src/Patterns/ObservedIterator.hpp (added) * src/Patterns/Observer.cpp (modified) * src/Patterns/Observer.hpp (modified) * src/Plane.cpp (modified) * src/Plane.hpp (modified) * src/analysis_bonds.cpp (modified) * src/analysis_correlation.cpp (modified) * src/atom.cpp (modified) * src/bondgraph.cpp (modified) * src/boundary.cpp (modified) * src/builder.cpp (modified) * src/config.cpp (modified) * src/helpers.cpp (modified) * src/helpers.hpp (modified) * src/lists.cpp (deleted) * src/lists.hpp (modified) * src/memoryallocator.cpp (added) * 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/tesselation.cpp (modified) * src/tesselation.hpp (modified) * src/tesselationhelpers.cpp (modified) * src/unittests/AnalysisCorrelationToPointUnitTest.cpp (modified) * src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified) * src/unittests/AnalysisPairCorrelationUnitTest.cpp (modified) * src/unittests/CountBondsUnitTest.cpp (modified) * src/unittests/LinkedCellUnitTest.cpp (modified) * src/unittests/Makefile.am (modified) * src/unittests/ObserverTest.cpp (modified) * src/unittests/ObserverTest.hpp (modified) * src/unittests/analysisbondsunittest.cpp (modified) * src/unittests/bondgraphunittest.cpp (modified) * src/unittests/bondgraphunittest.hpp (modified) * src/unittests/listofbondsunittest.cpp (modified) * src/unittests/listofbondsunittest.hpp (modified) * src/vector.cpp (modified) * src/vector.hpp (modified) * tests/regression/Domain/5/post/test.conf (modified) * tests/regression/Domain/5/pre/test.conf (modified) * tests/regression/Domain/6/post/test-x.conf (deleted) * tests/regression/Domain/6/post/test-x.conf.xyz (added) * tests/regression/Domain/6/post/test-y.conf (deleted) * tests/regression/Domain/6/post/test-y.conf.xyz (added) * tests/regression/Domain/6/post/test-z.conf (deleted) * tests/regression/Domain/6/post/test-z.conf.xyz (added) * tests/regression/Domain/6/post/test.conf (deleted) * tests/regression/Domain/6/pre/test.conf (modified) * tests/regression/Simple_configuration/8/post/test.conf (deleted) * tests/regression/Simple_configuration/8/post/test.conf.xyz (added) * tests/regression/testsuite-domain.at (modified) * tests/regression/testsuite-simple_configuration.at (modified) Merge commit 'jupiter/MoleculeStartEndSwitch' into ... Sun, 30 May 2010 17:29:38 GMT Frederik Heber [eddea2] * src/molecule.hpp (modified) * src/molecule_geometry.cpp (modified) * src/vector.cpp (modified) * tests/regression/Molecules/7/post/test.conf (added) * tests/regression/Molecules/7/pre/test.conf (added) * tests/regression/testsuite.at (modified) Added case '-T' (periodic translation) to testsuite. - BUGFIX: ... Fri, 28 May 2010 11:41:08 GMT Tillmann Crueger [ccf826] * src/Plane.cpp (modified) * src/Plane.hpp (modified) * src/Space.hpp (modified) * src/molecule_geometry.cpp (modified) * src/unittests/PlaneUnittest.cpp (modified) * src/unittests/PlaneUnittest.hpp (modified) * src/vector.cpp (modified) * src/vector.hpp (modified) Removed Vector::mirror() in favour of Plane::mirror() Fri, 28 May 2010 08:25:27 GMT Tillmann Crueger [42a101] * src/Legacy/oldmenu.cpp (modified) * src/Line.cpp (modified) * src/Line.hpp (modified) * src/Plane.cpp (modified) * src/Space.cpp (modified) * src/Space.hpp (modified) * src/unittests/LineUnittest.cpp (modified) * src/unittests/LineUnittest.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) Removed RotateVector() function in favor of Line::rotateVector() ... Thu, 27 May 2010 14:15:57 GMT Tillmann Crueger [45ef76] * src/Line.cpp (modified) * src/Line.hpp (modified) * src/Plane.cpp (modified) * src/Plane.hpp (modified) * src/unittests/LineUnittest.cpp (added) * src/unittests/LineUnittest.hpp (added) * src/unittests/Makefile.am (modified) * src/unittests/vectorunittest.cpp (modified) * src/vector.cpp (modified) * src/vector.hpp (modified) Added several methods to the line class. Thu, 20 May 2010 15:51:14 GMT Tillmann Crueger [d4c9ae] * src/Plane.cpp (modified) * src/Plane.hpp (modified) * src/molecule_fragmentation.cpp (modified) * src/tesselation.cpp (modified) * src/tesselation.hpp (modified) * src/tesselationhelpers.cpp (modified) * src/vector.cpp (modified) * src/vector.hpp (modified) Removed the DistanceToPlane method in the Vector class in favor of a ... Fri, 30 Apr 2010 13:33:12 GMT Tillmann Crueger [fa5a6a] * src/Plane.cpp (modified) * src/Plane.hpp (modified) * src/unittests/Makefile.am (modified) * src/unittests/PlaneUnittest.cpp (added) * src/unittests/PlaneUnittest.hpp (added) * src/vector.cpp (modified) * src/vector.hpp (modified) * src/vector_ops.cpp (modified) Added unittests for planes Fri, 30 Apr 2010 10:07:23 GMT Tillmann Crueger [1513a74] * src/Makefile.am (modified) * src/analysis_correlation.cpp (modified) * src/atom.cpp (modified) * src/atom_trajectoryparticle.cpp (modified) * src/bond.cpp (modified) * src/molecule_dynamics.cpp (modified) * src/moleculelist.cpp (modified) * src/tesselation.cpp (modified) * src/tesselationhelpers.cpp (modified) * src/triangleintersectionlist.cpp (modified) * src/unittests/vectorunittest.cpp (modified) * src/vector.cpp (modified) * src/vector.hpp (modified) Declared the Vector class as single point spaces Fri, 30 Apr 2010 09:53:16 GMT Tillmann Crueger [005e18] * src/Plane.cpp (modified) * src/Plane.hpp (modified) * src/Space.cpp (modified) * src/Space.hpp (modified) * src/vector.cpp (modified) * src/vector.hpp (modified) Added const correctness to plane class and simplified interface Thu, 29 Apr 2010 16:03:30 GMT Tillmann Crueger [1829c4] * src/Plane.cpp (modified) * src/unittests/vectorunittest.cpp (modified) * src/unittests/vectorunittest.hpp (modified) * src/vector.cpp (modified) FIX: Bug that caused memory corruption in ... Thu, 29 Apr 2010 13:55:21 GMT Tillmann Crueger [8cbb97] * src/Exceptions/CustomException.cpp (added) * src/Exceptions/CustomException.hpp (added) * src/Exceptions/LinearDependenceException.cpp (added) * src/Exceptions/LinearDependenceException.hpp (added) * src/Helpers/fast_functions.hpp (added) * src/Legacy/oldmenu.cpp (modified) * src/Makefile.am (modified) * src/Plane.cpp (added) * src/Plane.hpp (added) * src/UIElements/TextDialog.cpp (modified) * src/analysis_bonds.cpp (modified) * src/analysis_correlation.cpp (modified) * src/atom.cpp (modified) * src/atom_trajectoryparticle.cpp (modified) * src/bond.cpp (modified) * src/boundary.cpp (modified) * src/builder.cpp (modified) * src/config.cpp (modified) * src/ellipsoid.cpp (modified) * src/gslmatrix.cpp (modified) * src/helpers.cpp (modified) * src/helpers.hpp (modified) * src/leastsquaremin.cpp (modified) * src/linearsystemofequations.cpp (modified) * src/linkedcell.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_template.hpp (modified) * src/moleculelist.cpp (modified) * src/tesselation.cpp (modified) * src/tesselationhelpers.cpp (modified) * src/test/ActOnAlltest.hpp (modified) * src/triangleintersectionlist.cpp (modified) * src/unittests/ActOnAllUnitTest.cpp (modified) * src/unittests/ActOnAllUnitTest.hpp (modified) * src/unittests/AnalysisCorrelationToPointUnitTest.cpp (modified) * src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified) * src/unittests/AnalysisCorrelationToSurfaceUnitTest.hpp (modified) * src/unittests/AnalysisPairCorrelationUnitTest.cpp (modified) * src/unittests/CountBondsUnitTest.cpp (modified) * src/unittests/LinkedCellUnitTest.cpp (modified) * src/unittests/analysisbondsunittest.cpp (modified) * src/unittests/bondgraphunittest.cpp (modified) * src/unittests/listofbondsunittest.cpp (modified) * src/unittests/tesselation_boundarytriangleunittest.cpp (modified) * src/unittests/vectorunittest.cpp (modified) * src/vector.cpp (modified) * src/vector.hpp (modified) * src/vector_ops.cpp (added) * src/vector_ops.hpp (added) Merge branch 'VectorRefactoring' into StructureRefactoring ... Wed, 28 Apr 2010 14:52:56 GMT Tillmann Crueger [753f02] * src/Helpers/fast_functions.hpp (modified) * src/Makefile.am (modified) * src/SingleVector.cpp (deleted) * src/SingleVector.hpp (deleted) * src/vector.cpp (modified) * src/vector.hpp (modified) Removed Algebraic Hierachy from vector. Tue, 27 Apr 2010 14:25:42 GMT Frederik Heber [5f612ee] * src/Legacy/oldmenu.cpp (modified) * src/Makefile.am (modified) * src/World.cpp (modified) * src/World.hpp (modified) * src/analysis_bonds.cpp (modified) * src/analysis_bonds.hpp (modified) * src/analysis_correlation.cpp (modified) * src/analysis_correlation.hpp (modified) * src/analyzer.cpp (modified) * src/atom.cpp (modified) * src/atom_bondedparticle.cpp (modified) * src/atom_graphnode.cpp (modified) * src/atom_particleinfo.cpp (modified) * src/atom_trajectoryparticle.cpp (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/defs.hpp (modified) * src/ellipsoid.cpp (modified) * src/errorlogger.cpp (modified) * src/graph.cpp (modified) * src/gslvector.cpp (modified) * src/gslvector.hpp (modified) * src/helpers.cpp (modified) * src/helpers.hpp (modified) * src/info.cpp (modified) * src/joiner.cpp (modified) * src/linkedcell.cpp (modified) * src/linkedcell.hpp (modified) * src/log.cpp (modified) * src/log.hpp (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/moleculelist.cpp (modified) * src/parser.cpp (modified) * src/periodentafel.cpp (modified) * src/stackclass.hpp (modified) * src/tesselation.cpp (modified) * src/tesselation.hpp (modified) * src/tesselationhelpers.cpp (modified) * src/triangleintersectionlist.cpp (added) * src/triangleintersectionlist.hpp (added) * src/unittests/AnalysisCorrelationToPointUnitTest.cpp (modified) * src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified) * src/unittests/AnalysisCorrelationToSurfaceUnitTest.hpp (modified) * src/unittests/CountBondsUnitTest.cpp (added) * src/unittests/CountBondsUnitTest.hpp (added) * src/unittests/LinkedCellUnitTest.cpp (added) * src/unittests/LinkedCellUnitTest.hpp (added) * src/unittests/Makefile.am (modified) * src/unittests/bondgraphunittest.cpp (modified) * src/unittests/bondgraphunittest.hpp (modified) * src/unittests/gslvectorunittest.cpp (modified) * src/unittests/gslvectorunittest.hpp (modified) * src/unittests/logunittest.cpp (modified) * src/unittests/memoryallocatorunittest.cpp (modified) * src/unittests/tesselation_boundarytriangleunittest.hpp (modified) * src/unittests/tesselation_insideoutsideunittest.cpp (modified) * src/unittests/tesselation_insideoutsideunittest.hpp (modified) * src/unittests/tesselationunittest.cpp (modified) * src/unittests/tesselationunittest.hpp (modified) * src/vector.cpp (modified) * src/vector.hpp (modified) * src/verbose.cpp (modified) * src/verbose.hpp (modified) * tests/Tesselations/1_2-dimethylbenzene/tecplot.phy (deleted) * tests/Tesselations/defs.in (modified) * tests/regression/Tesselation/3/post/NonConvexEnvelope.dat (modified) * tests/regression/Tesselation/3/post/NonConvexEnvelope.r3d (modified) Merge branch 'Analysis_PairCorrelation' into StructureRefactoring ... Thu, 22 Apr 2010 14:00:03 GMT Frederik Heber [a67d19] * src/analysis_correlation.cpp (modified) * src/analyzer.cpp (modified) * src/atom_bondedparticle.cpp (modified) * src/atom_graphnode.cpp (modified) * src/atom_trajectoryparticle.cpp (modified) * src/bondgraph.cpp (modified) * src/boundary.cpp (modified) * src/builder.cpp (modified) * src/config.cpp (modified) * src/datacreator.cpp (modified) * src/ellipsoid.cpp (modified) * src/graph.cpp (modified) * src/helpers.cpp (modified) * src/helpers.hpp (modified) * src/info.cpp (modified) * src/joiner.cpp (modified) * src/linkedcell.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/moleculelist.cpp (modified) * src/parser.cpp (modified) * src/periodentafel.cpp (modified) * src/stackclass.hpp (modified) * src/tesselation.cpp (modified) * src/tesselationhelpers.cpp (modified) * src/unittests/logunittest.cpp (modified) * src/unittests/memoryallocatorunittest.cpp (modified) * src/unittests/tesselation_insideoutsideunittest.cpp (modified) * src/vector.cpp (modified) Huge change: Log() << Verbose(.) --> DoLog(.) && (Log() << Verbose(.) ... Wed, 21 Apr 2010 11:46:40 GMT Frederik Heber [bc84ffc] * src/moleculelist.cpp (modified) * src/triangleintersectionlist.cpp (modified) * src/vector.cpp (modified) Made some remaining cout's "info Log() << Verbose(.)"'s ... - ... Thu, 15 Apr 2010 10:54:26 GMT Tillmann Crueger [1bd79e] * src/Makefile.am (modified) * src/SingleVector.cpp (modified) * src/SingleVector.hpp (modified) * src/boundary.cpp (modified) * src/builder.cpp (modified) * src/ellipsoid.cpp (modified) * src/molecule.cpp (modified) * src/molecule_geometry.cpp (modified) * src/tesselationhelpers.cpp (modified) * src/unittests/ActOnAllUnitTest.cpp (modified) * src/unittests/AnalysisCorrelationToPointUnitTest.cpp (modified) * src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified) * src/unittests/AnalysisPairCorrelationUnitTest.cpp (modified) * src/unittests/analysisbondsunittest.cpp (modified) * src/unittests/bondgraphunittest.cpp (modified) * src/unittests/listofbondsunittest.cpp (modified) * src/unittests/tesselation_boundarytriangleunittest.cpp (modified) * src/unittests/vectorunittest.cpp (modified) * src/vector.cpp (modified) * src/vector.hpp (modified) * src/vector_ops.cpp (modified) Changed implementation of Vector to forward operations to contained ... Tue, 13 Apr 2010 13:22:42 GMT Tillmann Crueger [273382] * src/Legacy/oldmenu.cpp (modified) * src/Plane.cpp (modified) * src/SingleVector.cpp (modified) * src/analysis_correlation.cpp (modified) * src/atom.cpp (modified) * src/atom_trajectoryparticle.cpp (modified) * src/bond.cpp (modified) * src/boundary.cpp (modified) * src/builder.cpp (modified) * src/ellipsoid.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_template.hpp (modified) * src/moleculelist.cpp (modified) * src/tesselation.cpp (modified) * src/tesselationhelpers.cpp (modified) * src/test/ActOnAlltest.hpp (modified) * src/unittests/ActOnAllUnitTest.cpp (modified) * src/unittests/vectorunittest.cpp (modified) * src/vector.cpp (modified) * src/vector.hpp (modified) * src/vector_ops.cpp (modified) Prepared interface of Vector Class for transition to VectorComposites Fri, 09 Apr 2010 14:45:49 GMT Tillmann Crueger [72e7fa] * src/Makefile.am (modified) * src/Plane.cpp (modified) * src/Plane.hpp (modified) * src/SingleVector.cpp (added) * src/SingleVector.hpp (added) * src/vector.cpp (modified) * src/vector.hpp (modified) Started work on the VectorComposites Wed, 07 Apr 2010 15:45:38 GMT Tillmann Crueger [0a4f7f] * src/Exceptions/CustomException.cpp (added) * src/Exceptions/CustomException.hpp (added) * src/Exceptions/LinearDependenceException.cpp (added) * src/Exceptions/LinearDependenceException.hpp (added) * src/Helpers/fast_functions.hpp (added) * src/Legacy/oldmenu.cpp (modified) * src/Makefile.am (modified) * src/Plane.cpp (added) * src/Plane.hpp (added) * src/UIElements/TextDialog.cpp (modified) * src/analysis_correlation.cpp (modified) * src/atom.cpp (modified) * src/atom_trajectoryparticle.cpp (modified) * src/boundary.cpp (modified) * src/builder.cpp (modified) * src/config.cpp (modified) * src/ellipsoid.cpp (modified) * src/gslmatrix.cpp (modified) * src/helpers.cpp (modified) * src/helpers.hpp (modified) * src/leastsquaremin.cpp (modified) * src/linearsystemofequations.cpp (modified) * src/linkedcell.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/moleculelist.cpp (modified) * src/tesselation.cpp (modified) * src/tesselationhelpers.cpp (modified) * src/unittests/ActOnAllUnitTest.cpp (modified) * src/unittests/ActOnAllUnitTest.hpp (modified) * src/unittests/vectorunittest.cpp (modified) * src/vector.cpp (modified) * src/vector.hpp (modified) * src/vector_ops.cpp (added) * src/vector_ops.hpp (added) Made data internal data-structure of vector class private - ... Thu, 18 Mar 2010 11:33:54 GMT Frederik Heber [58ed4a] * src/analysis_bonds.cpp (modified) * src/analysis_correlation.cpp (modified) * src/analysis_correlation.hpp (modified) * src/analyzer.cpp (modified) * src/atom_bondedparticle.cpp (modified) * src/bond.cpp (modified) * src/bondgraph.cpp (modified) * src/boundary.cpp (modified) * src/builder.cpp (modified) * src/config.cpp (modified) * src/ellipsoid.cpp (modified) * src/helpers.hpp (modified) * src/linkedcell.cpp (modified) * src/log.cpp (modified) * src/log.hpp (modified) * src/molecule.cpp (modified) * src/molecule_dynamics.cpp (modified) * src/molecule_fragmentation.cpp (modified) * src/molecule_graph.cpp (modified) * src/moleculelist.cpp (modified) * src/parser.cpp (modified) * src/periodentafel.cpp (modified) * src/stackclass.hpp (modified) * src/tesselation.cpp (modified) * src/tesselationhelpers.cpp (modified) * src/triangleintersectionlist.cpp (modified) * src/unittests/logunittest.cpp (modified) * src/vector.cpp (modified) Log() and eLog() are prepended by a DoLog()/DoeLog() construct. - ... Wed, 03 Mar 2010 10:13:19 GMT Frederik Heber [b34306] * src/Makefile.am (modified) * src/World.cpp (added) * src/World.hpp (added) * src/analysis_correlation.cpp (modified) * src/boundary.cpp (modified) * src/builder.cpp (modified) * src/config.cpp (modified) * src/molecule.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/vector.cpp (modified) singleton class World introduced, contains only cell_size from class ... Mon, 01 Mar 2010 20:28:32 GMT Frederik Heber [821907] * src/vector.cpp (modified) * src/vector.hpp (modified) Added Vector Copy constructors, Vector::GetDistanceVectorToPlane() ... Fri, 26 Feb 2010 09:55:28 GMT Frederik Heber [b84d5d] * src/vector.cpp (modified) * src/vector.hpp (modified) FIX: operator implementation of Vector algebra was wrong and caused ... Thu, 28 Jan 2010 13:54:35 GMT Tillmann Crueger [2ededc2] * src/UIElements/Dialog.cpp (modified) * src/UIElements/Dialog.hpp (modified) * src/UIElements/TextDialog.cpp (modified) * src/UIElements/TextDialog.hpp (modified) * src/vector.cpp (modified) * src/vector.hpp (modified) Added possibility to query doubles and vectors using dialogs. Thu, 14 Jan 2010 17:32:47 GMT Frederik Heber [7b36fe] * src/vector.cpp (modified) Changed verbosity for Vector::GetIntersectionWithPlane(). - when ... Mon, 11 Jan 2010 09:16:36 GMT Frederik Heber [fee69b] * src/tesselation.cpp (modified) * src/vector.cpp (modified) Fixed Tesselation::IsInnerPoint() - Both unit tests ... Mon, 11 Jan 2010 03:06:30 GMT Frederik Heber [fcad4b] * src/tesselation.cpp (modified) * src/vector.cpp (modified) InsideOutside unit test of tesselation is working correctly. - FIX: ... Sun, 10 Jan 2010 19:24:02 GMT Frederik Heber [9d6308] * src/vector.cpp (modified) Vector::GetIntersectionOfTwoLinesOnPlane() rewritten. Use routine ... Fri, 08 Jan 2010 14:04:22 GMT Frederik Heber [97498a] * src/tesselation.cpp (modified) * src/tesselation.hpp (modified) * src/unittests/tesselation_insideoutsideunittest.cpp (modified) * src/vector.cpp (modified) Attempt to fix the tesselation::IsInnerPoint(). We try the ... Wed, 16 Dec 2009 11:53:06 GMT Frederik Heber [b998c3] * src/bondgraph.cpp (modified) * src/boundary.cpp (modified) * src/boundary.hpp (modified) * src/tesselation.cpp (modified) * src/tesselation.hpp (modified) * src/tesselationhelpers.cpp (modified) * src/vector.cpp (modified) * src/vector.hpp (modified) Fix attempts of the Tesselation. One problem still remains: - ... Mon, 23 Nov 2009 18:22:33 GMT Frederik Heber [717e0c] * src/analyzer.cpp (modified) * src/atom_bondedparticle.cpp (modified) * src/atom_graphnode.cpp (modified) * src/atom_trajectoryparticle.cpp (modified) * src/bond.cpp (modified) * src/bondgraph.cpp (modified) * src/boundary.cpp (modified) * src/builder.cpp (modified) * src/config.cpp (modified) * src/ellipsoid.cpp (modified) * src/linkedcell.cpp (modified) * src/memoryusageobserver.cpp (modified) * src/molecule.cpp (modified) * src/molecule_dynamics.cpp (modified) * src/molecule_fragmentation.cpp (modified) * src/moleculelist.cpp (modified) * src/parser.cpp (modified) * src/periodentafel.cpp (modified) * src/stackclass.hpp (modified) * src/tesselation.cpp (modified) * src/tesselationhelpers.cpp (modified) * src/vector.cpp (modified) Verbosity corrected for ERROR and WARNING - present ERROR and ... Wed, 04 Nov 2009 19:56:04 GMT Frederik Heber [e138de] * src/Makefile.am (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_bondedparticle.cpp (modified) * src/atom_bondedparticle.hpp (modified) * src/atom_graphnode.cpp (modified) * src/atom_graphnode.hpp (modified) * src/atom_trajectoryparticle.cpp (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/element.cpp (modified) * src/element.hpp (modified) * src/ellipsoid.cpp (modified) * src/ellipsoid.hpp (modified) * src/errorlogger.cpp (moved) * src/errorlogger.hpp (moved) * src/graph.cpp (modified) * src/graph.hpp (modified) * src/helpers.cpp (modified) * src/helpers.hpp (modified) * src/joiner.cpp (modified) * src/linkedcell.cpp (modified) * src/log.cpp (modified) * src/log.hpp (modified) * src/logger.cpp (modified) * src/memoryallocator.hpp (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/molecule_template.hpp (modified) * src/moleculelist.cpp (modified) * src/parser.cpp (modified) * src/periodentafel.cpp (modified) * src/stackclass.hpp (modified) * src/tesselation.cpp (modified) * src/tesselation.hpp (modified) * src/tesselationhelpers.cpp (modified) * src/tesselationhelpers.hpp (modified) * src/test/ActOnAlltest.hpp (modified) * src/unittests/ActOnAllUnitTest.cpp (modified) * src/unittests/AnalysisCorrelationToPointUnitTest.cpp (modified) * src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified) * src/unittests/AnalysisPairCorrelationUnitTest.cpp (modified) * src/unittests/Makefile.am (modified) * src/unittests/bondgraphunittest.cpp (modified) * src/unittests/logunittest.cpp (modified) * src/unittests/memoryallocatorunittest.cpp (modified) * src/unittests/stackclassunittest.cpp (modified) * src/unittests/tesselationunittest.cpp (modified) * src/unittests/vectorunittest.cpp (modified) * src/vector.cpp (modified) * src/vector.hpp (modified) * src/verbose.cpp (modified) Huge change from ofstream * (const) out --> Log(). - first shift ... Wed, 04 Nov 2009 18:15:10 GMT Frederik Heber [7ea9e6] * src/analysis_correlation.cpp (modified) * src/analysis_correlation.hpp (modified) * src/builder.cpp (modified) * src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified) * src/vector.cpp (modified) Periodic variants of AnalysisPair...() implemented. - BUGFIX: ... Wed, 04 Nov 2009 17:34:05 GMT Frederik Heber [99593f] * src/analysis_correlation.cpp (modified) * src/atom_bondedparticle.cpp (modified) * src/helpers.cpp (modified) * src/helpers.hpp (modified) * src/molecule_geometry.cpp (modified) * src/molecule_graph.cpp (modified) * src/tesselation.cpp (modified) * src/vector.cpp (modified) * src/vector.hpp (modified) Extension to the periodic boundary case for analysis_correlation.cpp ... Tue, 27 Oct 2009 16:11:22 GMT Frederik Heber [776b64] * configure.ac (modified) * src/analysis_correlation.cpp (modified) * src/analysis_correlation.hpp (modified) * src/boundary.cpp (modified) * src/boundary.hpp (modified) * src/builder.cpp (modified) * src/ellipsoid.cpp (modified) * src/leastsquaremin.cpp (modified) * src/leastsquaremin.hpp (modified) * src/linkedcell.cpp (modified) * src/linkedcell.hpp (modified) * src/molecule.cpp (modified) * src/molecule.hpp (modified) * src/molecule_geometry.cpp (modified) * src/molecule_graph.cpp (modified) * src/molecule_pointcloud.cpp (modified) * src/moleculelist.cpp (modified) * src/tesselation.cpp (modified) * src/tesselation.hpp (modified) * src/tesselationhelpers.cpp (modified) * src/tesselationhelpers.hpp (modified) * src/unittests/ActOnAllUnitTest.cpp (modified) * src/unittests/AnalysisCorrelationToPointUnitTest.cpp (modified) * src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified) * src/vector.cpp (modified) * src/vector.hpp (modified) Huge refactoring to make const what is const (ticket #38), continued. ... Tue, 27 Oct 2009 08:54:44 GMT Frederik Heber [b453f9] * src/atom.cpp (modified) * src/atom.hpp (modified) * src/atom_bondedparticle.cpp (modified) * src/atom_bondedparticle.hpp (modified) * src/atom_particleinfo.cpp (modified) * src/atom_particleinfo.hpp (modified) * src/atom_trajectoryparticle.cpp (modified) * src/atom_trajectoryparticle.hpp (modified) * src/config.cpp (modified) * src/molecule.cpp (modified) * src/molecule.hpp (modified) * src/molecule_template.hpp (modified) * src/vector.cpp (modified) * src/vector.hpp (modified) Begun with ticket #38 (make const what is const). - basically all ... Sat, 17 Oct 2009 16:49:59 GMT Frederik Heber [ad8b0d] * src/helpers.hpp (modified) * src/vector.cpp (modified) Templated version of flip now operates with references instead of ... Tue, 13 Oct 2009 16:42:58 GMT Frederik Heber [c4d4df] * src/Makefile.am (modified) * src/analysis_correlation.cpp (added) * src/analysis_correlation.hpp (added) * src/tesselationhelpers.cpp (modified) * src/tesselationhelpers.hpp (modified) * src/unittests/AnalysisCorrelationToPointUnitTest.cpp (added) * src/unittests/AnalysisCorrelationToPointUnitTest.hpp (added) * src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (added) * src/unittests/AnalysisCorrelationToSurfaceUnitTest.hpp (added) * src/unittests/AnalysisPairCorrelationUnitTest.cpp (added) * src/unittests/AnalysisPairCorrelationUnitTest.hpp (added) * src/unittests/Makefile.am (modified) * src/vector.cpp (modified) * src/vector.hpp (modified) Pair correlation analysis added. - new file ... Mon, 05 Oct 2009 22:09:51 GMT Frederik Heber [d09ff7] * src/vector.cpp (modified) * src/vector.hpp (modified) new function Vector::WrapPeriodically() and ... Mon, 05 Oct 2009 16:05:53 GMT Frederik Heber [a33931] * src/Makefile.am (modified) * src/analyzer.cpp (modified) * src/atom.cpp (modified) * src/boundary.cpp (modified) * src/builder.cpp (modified) * src/config.cpp (modified) * src/defs.hpp (modified) * src/helpers.cpp (modified) * src/helpers.hpp (modified) * src/joiner.cpp (modified) * src/memoryallocator.hpp (added) * src/memoryallocatorunittest.cpp (added) * src/memoryallocatorunittest.hpp (added) * src/memoryusageobserver.cpp (added) * src/memoryusageobserver.hpp (added) * src/memoryusageobserverunittest.cpp (added) * src/memoryusageobserverunittest.hpp (added) * src/moleculelist.cpp (modified) * src/molecules.cpp (modified) * src/molecules.hpp (modified) * src/parser.cpp (modified) * src/stackclass.hpp (modified) * src/tesselation.cpp (modified) * src/vector.cpp (modified) * src/vector.hpp (modified) * src/vectorunittest.cpp (modified) * src/vectorunittest.hpp (modified) Merge branch 'ConcaveHull' into ConvexHull Conflicts: ... Fri, 02 Oct 2009 15:18:43 GMT Frederik Heber [e4a379] * src/vector.cpp (modified) FIX of Vector::GetIntersectionWithPlane() - Direction was not ... Mon, 21 Sep 2009 11:48:42 GMT Saskia Metzler [29812d] * src/Makefile.am (modified) * src/analyzer.cpp (modified) * src/atom.cpp (modified) * src/boundary.cpp (modified) * src/config.cpp (modified) * src/defs.hpp (modified) * src/helpers.cpp (modified) * src/helpers.hpp (modified) * src/joiner.cpp (modified) * src/memoryallocator.hpp (added) * src/memoryallocatorunittest.cpp (added) * src/memoryallocatorunittest.hpp (added) * src/moleculelist.cpp (modified) * src/molecules.cpp (modified) * src/parser.cpp (modified) * src/stackclass.hpp (modified) * src/tesselation.cpp (modified) * src/vector.cpp (modified) Ticket 11: use templates and/or traits to fix Malloc/ReAlloc-Free ... Thu, 20 Aug 2009 15:40:49 GMT Saskia Metzler [89c8b2] * src/atom.cpp (modified) * src/molecules.cpp (modified) * src/molecules.hpp (modified) * src/vector.cpp (modified) * src/vector.hpp (modified) * src/vectorunittest.cpp (modified) * src/vectorunittest.hpp (modified) Ticket 17: Write new function molecule::CopyMoleculeFromSubRegion() Thu, 20 Aug 2009 11:35:19 GMT Saskia Metzler [78b73c] * src/vector.cpp (modified) * src/vectorunittest.cpp (modified) * src/vectorunittest.hpp (modified) Ticket 16: Unit tests for Vector::RotateVector(), additionally fixing ... Wed, 19 Aug 2009 12:23:05 GMT Frederik Heber [ef9df36] * src/Makefile.am (modified) * src/vector.cpp (modified) * src/vector.hpp (modified) * src/vectorunittest.cpp (modified) * src/vectorunittest.hpp (modified) VectorUnitTest extended to Projections and Line intersection, some ... Tue, 18 Aug 2009 08:48:06 GMT Frederik Heber [54a746] * configure.ac (modified) * src/Makefile.am (modified) * src/leastsquaremin.cpp (added) * src/leastsquaremin.hpp (added) * src/molecules.cpp (modified) * src/molecules.hpp (modified) * src/tesselation.cpp (modified) * src/vector.cpp (modified) * src/vector.hpp (modified) * src/vectorunittest.cpp (added) * src/vectorunittest.hpp (added) Incorporation of Unit test on class Vector. - new file ... Sat, 08 Aug 2009 19:19:23 GMT Frederik Heber [46670d] * src/vector.cpp (modified) * src/vector.hpp (modified) BUGFIXES to some vector functions. - Vector::MakeNormalVector() ... ... Mon, 03 Aug 2009 20:21:05 GMT Frederik Heber [ab1932] * src/Makefile.am (modified) * src/atom.cpp (modified) * src/atom.hpp (added) * src/bond.cpp (modified) * src/bond.hpp (added) * src/boundary.cpp (modified) * src/boundary.hpp (modified) * src/builder.cpp (modified) * src/config.cpp (modified) * src/config.hpp (added) * src/element.cpp (modified) * src/element.hpp (added) * src/ellipsoid.cpp (modified) * src/ellipsoid.hpp (modified) * src/helpers.hpp (modified) * src/linkedcell.cpp (modified) * src/linkedcell.hpp (modified) * src/moleculelist.cpp (modified) * src/molecules.cpp (modified) * src/molecules.hpp (modified) * src/parser.hpp (modified) * src/periodentafel.cpp (modified) * src/periodentafel.hpp (modified) * src/stackclass.hpp (modified) * src/tesselation.cpp (added) * src/tesselation.hpp (added) * src/tesselationhelpers.cpp (added) * src/tesselationhelpers.hpp (added) * src/vector.cpp (modified) * src/vector.hpp (modified) * src/verbose.hpp (added) Merge branch 'TesselationRefactoring' into ConcaveHull Conflicts: ... Mon, 03 Aug 2009 18:58:46 GMT Frederik Heber [0dbddc] * src/atom.cpp (modified) * src/boundary.cpp (modified) * src/boundary.hpp (modified) * src/linkedcell.cpp (modified) * src/linkedcell.hpp (modified) * src/molecules.hpp (modified) * src/vector.cpp (modified) * src/vector.hpp (modified) Merge branch 'ConcaveHull' of ... Mon, 03 Aug 2009 16:44:16 GMT Saskia Metzler [9c20aa] * src/vector.cpp (modified) * src/vector.hpp (modified) new function isNull(), output operator takes const argument Mon, 03 Aug 2009 15:26:32 GMT Frederik Heber [edb93c] * src/bond.cpp (modified) * src/bond.hpp (modified) * src/boundary.cpp (modified) * src/boundary.hpp (modified) * src/config.hpp (modified) * src/helpers.hpp (modified) * src/linkedcell.cpp (modified) * src/molecules.hpp (modified) * src/vector.cpp (modified) Some minor fixes with regards to what needs to be included where and ... Mon, 03 Aug 2009 08:10:09 GMT Frederik Heber [2319ed] * src/Makefile.am (modified) * src/atom.cpp (modified) * src/boundary.cpp (modified) * src/boundary.hpp (modified) * src/builder.cpp (modified) * src/molecules.cpp (modified) * src/molecules.hpp (modified) * src/vector.cpp (modified) * src/vector.hpp (modified) We are one step further in fixing the convex hull: There are two ... Tue, 28 Jul 2009 13:01:15 GMT Frederik Heber [d4d0dd] * src/vector.cpp (modified) * src/vector.hpp (modified) New function Vector::NormSquared() and Angle checks whether Norm's ... Mon, 27 Jul 2009 14:07:25 GMT Frederik Heber [a20e6a] * src/molecules.cpp (modified) * src/vector.cpp (modified) BUGFIX: molecule::ReturnFullMatrixforSymmetric had it still all ... Thu, 23 Jul 2009 14:21:57 GMT Frederik Heber [042f82] * 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/defs.hpp (modified) * src/element.cpp (modified) * src/ellipsoid.cpp (modified) * src/ellipsoid.hpp (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/parser.cpp (modified) * src/parser.hpp (modified) * src/periodentafel.cpp (modified) * src/periodentafel.hpp (modified) * src/stackclass.hpp (modified) * src/vector.cpp (modified) * src/vector.hpp (modified) * src/verbose.cpp (modified) fixed indentation from tabs to two spaces. Fri, 10 Jul 2009 12:48:05 GMT Frederik Heber [21c017] * src/boundary.cpp (modified) * src/builder.cpp (modified) * src/molecules.cpp (modified) * src/molecules.hpp (modified) * src/vector.cpp (modified) * src/vector.hpp (modified) molecule::CenterInBox puts atoms now periodically into the given box, ... Tue, 07 Jul 2009 08:12:28 GMT Frederik Heber [02da9e] * src/vector.cpp (modified) BUGFIX: Numerical imprecision forced check of bounds for acos() ... Mon, 09 Feb 2009 17:24:10 GMT Frederik 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 ... Tue, 23 Dec 2008 13:28:05 GMT Christian Neuen [23e09b] * src/boundary.cpp (modified) * src/vector.cpp (modified) * src/vector.hpp (modified) fancy commit Tue, 23 Dec 2008 11:22:57 GMT Frederik Heber [44fd95] * src/boundary.cpp (modified) * src/vector.cpp (modified) * src/vector.hpp (modified) Cleaned up all debugging output Tue, 16 Dec 2008 18:39:28 GMT Christian Neuen [e4ea46] * configure.ac (modified) * src/boundary.cpp (modified) * src/boundary.hpp (modified) * src/vector.cpp (modified) * src/vector.hpp (modified) Tesselation starts to look good, minor discrepancies are still there ... Wed, 03 Dec 2008 14:12:05 GMT Christian Neuen [69eb71] * src/#border.cpp# (added) * src/#makefile# (added) * src/#molecules.hpp# (added) * src/.#border.cpp (added) * src/.#molecules.hpp (added) * src/TAGS (added) * src/boundary.cpp (modified) * src/boundary.hpp (modified) * src/molecules.cpp (modified) * src/molecules.hpp (modified) * src/vector.cpp (modified) Multiple changes to boundary, currently not fully operational. ... Thu, 27 Nov 2008 09:55:08 GMT Christian Neuen [03648b] * src/border.cpp (modified) * src/boundary.cpp (modified) * src/boundary.hpp (modified) * src/vector.cpp (modified) * src/vector.hpp (modified) In vector a function for calculation of the vector-(cross-)product ... Tue, 09 Sep 2008 15:32:16 GMT Frederik Heber [2985c8] * src/vector.cpp (modified) BUGFIX: Normalize() would try to normalize a zero vector which ended ... Wed, 06 Aug 2008 09:02:01 GMT Frederik Heber [e9b8bb] * src/boundary.cpp (modified) * src/boundary.hpp (modified) * src/builder.cpp (modified) * src/moleculelist.cpp (modified) * src/molecules.cpp (modified) * src/molecules.hpp (modified) * src/vector.cpp (modified) * src/vector.hpp (modified) Rename of class vector to Vector to avoid conflict with vector from STL. Thu, 12 Jun 2008 19:14:46 GMT Frederik Heber [110ceb] * src/Makefile.am (modified) * src/builder.cpp (modified) * src/defs.hpp (modified) * src/molecules.cpp (modified) * src/molecules.hpp (modified) * src/vector.cpp (modified) * src/vector.hpp (modified) VolumeOfConvexEnvelope: Works! VolumeOfConvexEnvelope has been ... Tue, 10 Jun 2008 11:20:12 GMT Frederik Heber [498a9f] * src/vector.cpp (modified) * src/vector.hpp (modified) some new functions: vector::vector(), vector::ProjectOntoPlane(), ... Tue, 10 Jun 2008 11:15:52 GMT Frederik Heber [3dfad8] * src/vector.cpp (modified) * src/vector.hpp (modified) Revert "some new functions: vector::vector(), ... Tue, 10 Jun 2008 11:11:22 GMT Frederik Heber [17ce5c] * src/vector.cpp (modified) * src/vector.hpp (modified) some new functions: vector::vector(), vector::ProjectOntoPlane(), ... Sat, 07 Jun 2008 13:21:33 GMT Frederik Heber [65684f] * src/vector.cpp (modified) these are all smaller fixes due to extensively enabled compiler ... Fri, 23 May 2008 09:17:19 GMT Frederik Heber [7f3b9d] * src/analyzer.cpp (modified) * src/builder.cpp (modified) * src/config.cpp (modified) * src/datacreator.cpp (modified) * src/helpers.cpp (modified) * src/helpers.hpp (modified) * src/moleculelist.cpp (modified) * src/molecules.cpp (modified) * src/molecules.hpp (modified) * src/parser.cpp (modified) * src/stackclass.hpp (modified) * src/vector.cpp (modified) * src/verbose.cpp (modified) Lots of for loops now count in reverse order where it does not ... Wed, 21 May 2008 09:24:54 GMT Frederik Heber [342f33f] * src/molecules.hpp (modified) * src/vector.cpp (modified) * src/vector.hpp (added) new header file for the vector class, new operators +=,*=,*,+ Fri, 02 May 2008 13:25:48 GMT Frederik Heber [db942e] * src/analyzer.cpp (modified) * src/atom.cpp (modified) * src/builder.cpp (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/vector.cpp (modified) HUGE REWRITE to allow for adaptive increase of the bond order, first ...