# # ChangeLog for src/vector.hpp # # Generated by Trac 1.4.4 # Jan 9, 2025, 10:29:35 AM 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 ... 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 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, 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 - ... 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. 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: - ... 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 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 17:16:31 GMT Frederik Heber [fb73b8] * src/bond.cpp (modified) * src/bond.hpp (modified) * src/config.cpp (modified) * src/config.hpp (modified) * src/memoryallocator.hpp (modified) * src/periodentafel.cpp (modified) * src/periodentafel.hpp (modified) * src/vector.hpp (modified) class config, ConfigFileBuffer, periodentafel and Vector are ... 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 ... Tue, 20 Oct 2009 08:54:51 GMT Frederik Heber [c75de1] * src/vector.hpp (modified) iostream was missing in vector includes. 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 ... Fri, 09 Oct 2009 10:54:52 GMT Frederik 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. - ... Mon, 05 Oct 2009 22:09:51 GMT Frederik Heber [d09ff7] * src/vector.cpp (modified) * src/vector.hpp (modified) new function Vector::WrapPeriodically() and ... 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() 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 14:48:42 GMT Frederik Heber [357fba] * 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/ellipsoid.cpp (modified) * src/ellipsoid.hpp (modified) * src/linkedcell.cpp (modified) * src/linkedcell.hpp (modified) * src/molecules.cpp (modified) * src/molecules.hpp (modified) * src/tesselation.cpp (added) * src/tesselation.hpp (added) * src/tesselationhelpers.cpp (added) * src/tesselationhelpers.hpp (added) * src/vector.hpp (modified) Huge refactoring of Tesselation routines, but not finished yet. - ... 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 ... 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, ... 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 ... 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 ... 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. Wed, 09 Jul 2008 13:33:57 GMT Frederik Heber [7d96c6] * src/molecules.hpp (modified) * src/vector.hpp (modified) class vector was wrongly still in molecules.hpp instead of vector.hpp 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(), ... 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 +=,*=,*,+