#
# ChangeLog for src/builder.cpp
#
# Generated by Trac 1.4.4
# Jan 9, 2025, 1:21:51 PM

Fri, 26 Feb 2010 13:57:01 GMT Tillmann Crueger <crueger@…> [a1510d]
	* configure.ac (modified)
	* src/Actions/small_actions.hpp (modified)
	* src/Makefile.am (modified)
	* src/Patterns/Observer.cpp (modified)
	* src/Patterns/Observer.hpp (modified)
	* src/UIElements/TextStatusIndicator.cpp (added)
	* src/UIElements/TextStatusIndicator.hpp (added)
	* src/UIElements/TextWindow.cpp (modified)
	* src/UIElements/TextWindow.hpp (modified)
	* src/World.cpp (modified)
	* src/builder.cpp (modified)
	* src/element.cpp (modified)
	* src/gslmatrix.cpp (modified)
	* src/molecule_dynamics.cpp (modified)
	* src/tesselation.cpp (modified)
	* src/unittests/ActOnAllUnitTest.cpp (modified)
	* src/unittests/ActionSequenceTest.cpp (modified)
	* src/unittests/AnalysisCorrelationToPointUnitTest.cpp (modified)
	* src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified)
	* src/unittests/AnalysisPairCorrelationUnitTest.cpp (modified)
	* src/unittests/CacheableTest.cpp (modified)
	* src/unittests/DescriptorUnittest.cpp (modified)
	* src/unittests/Makefile.am (modified)
	* src/unittests/ObserverTest.cpp (modified)
	* src/unittests/TestRunnerMain.cpp (added)
	* src/unittests/UnitTestMain.cpp (added)
	* src/unittests/analysisbondsunittest.cpp (modified)
	* src/unittests/atomsCalculationTest.cpp (modified)
	* src/unittests/bondgraphunittest.cpp (modified)
	* src/unittests/gslmatrixsymmetricunittest.cpp (modified)
	* src/unittests/gslmatrixunittest.cpp (modified)
	* src/unittests/gslvectorunittest.cpp (modified)
	* src/unittests/infounittest.cpp (modified)
	* src/unittests/linearsystemofequationsunittest.cpp (modified)
	* src/unittests/listofbondsunittest.cpp (modified)
	* src/unittests/logunittest.cpp (modified)
	* src/unittests/manipulateAtomsTest.cpp (modified)
	* src/unittests/memoryallocatorunittest.cpp (modified)
	* src/unittests/memoryusageobserverunittest.cpp (modified)
	* src/unittests/stackclassunittest.cpp (modified)
	* src/unittests/tesselation_boundarytriangleunittest.cpp (modified)
	* src/unittests/tesselation_boundarytriangleunittest.hpp (modified)
	* src/unittests/tesselation_insideoutsideunittest.cpp (modified)
	* src/unittests/tesselationunittest.cpp (modified)
	* src/unittests/vectorunittest.cpp (modified)
	* src/vector.cpp (modified)
	* src/vector.hpp (modified)
	* tests/Tesselations/defs.in (modified)

	Merge branch 'FreddiesRefactoring' into StructureRefactoring
 ...


Fri, 26 Feb 2010 09:54:12 GMT Frederik Heber <heber@…> [aac3ef]
	* src/builder.cpp (modified)

	FIX: Replaced memoryusageobserverunittest.hpp include by correct ...


Thu, 25 Feb 2010 16:43:02 GMT Tillmann Crueger <crueger@…> [cbc5fb]
	* src/Legacy/oldmenu.cpp (modified)
	* src/World.cpp (modified)
	* src/World.hpp (modified)
	* src/boundary.cpp (modified)
	* src/builder.cpp (modified)
	* src/config.cpp (modified)
	* src/defs.hpp (modified)
	* src/molecule.cpp (modified)
	* src/molecule.hpp (modified)
	* src/molecule_dynamics.cpp (modified)
	* src/molecule_fragmentation.cpp (modified)
	* src/moleculelist.cpp (modified)
	* src/unittests/AnalysisCorrelationToPointUnitTest.cpp (modified)
	* src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified)
	* src/unittests/AnalysisPairCorrelationUnitTest.cpp (modified)
	* src/unittests/Makefile.am (modified)
	* src/unittests/analysisbondsunittest.cpp (modified)
	* src/unittests/bondgraphunittest.cpp (modified)
	* src/unittests/listofbondsunittest.cpp (modified)

	Made the world solely responsible for creating and erasing molecules.


Wed, 24 Feb 2010 16:21:12 GMT Tillmann Crueger <crueger@…> [46d958]
	* src/Legacy/oldmenu.cpp (modified)
	* src/Makefile.am (modified)
	* src/World.cpp (modified)
	* src/World.hpp (modified)
	* src/atom.cpp (modified)
	* src/atom.hpp (modified)
	* src/atom_particleinfo.cpp (modified)
	* src/atom_particleinfo.hpp (modified)
	* src/boundary.cpp (modified)
	* src/builder.cpp (modified)
	* src/config.cpp (modified)
	* src/lists.cpp (added)
	* src/lists.hpp (modified)
	* src/molecule.cpp (modified)
	* src/moleculelist.cpp (modified)
	* src/unittests/AnalysisCorrelationToPointUnitTest.cpp (modified)
	* src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified)
	* src/unittests/AnalysisPairCorrelationUnitTest.cpp (modified)
	* src/unittests/DescriptorUnittest.cpp (modified)
	* src/unittests/DescriptorUnittest.hpp (modified)
	* src/unittests/Makefile.am (modified)
	* src/unittests/analysisbondsunittest.cpp (modified)
	* src/unittests/atomsCalculationTest.cpp (modified)
	* src/unittests/atomsCalculationTest.hpp (modified)
	* src/unittests/bondgraphunittest.cpp (modified)
	* src/unittests/listofbondsunittest.cpp (modified)
	* src/unittests/manipulateAtomsTest.cpp (modified)

	Made the world solely responsible for creating and destroying atoms.


Thu, 18 Feb 2010 11:38:02 GMT Tillmann Crueger <crueger@…> [0188ea]
	* src/Actions/small_actions.hpp (modified)
	* src/Makefile.am (modified)
	* src/UIElements/TextStatusIndicator.cpp (added)
	* src/UIElements/TextStatusIndicator.hpp (added)
	* src/UIElements/TextWindow.cpp (modified)
	* src/UIElements/TextWindow.hpp (modified)
	* src/builder.cpp (modified)

	Added a progress indicator for the text menu


Thu, 18 Feb 2010 10:59:29 GMT Tillmann Crueger <crueger@…> [7dad10]
	* src/Actions/Process.cpp (added)
	* src/Actions/Process.hpp (added)
	* src/Actions/small_actions.hpp (modified)
	* src/Makefile.am (modified)
	* src/World.cpp (modified)
	* src/builder.cpp (modified)
	* src/helpers.hpp (modified)

	Added a special class of Actions that take some time.


Tue, 16 Feb 2010 17:26:59 GMT Tillmann Crueger <crueger@…> [354859]
	* src/World.cpp (modified)
	* src/World.hpp (modified)
	* src/builder.cpp (modified)

	Moved control of molecules and periode to World.


Tue, 02 Feb 2010 12:22:06 GMT Tillmann Crueger <crueger@…> [a25aae]
	* src/analysis_correlation.cpp (modified)
	* src/analysis_correlation.hpp (modified)
	* src/atom_bondedparticle.cpp (modified)
	* src/atom_bondedparticle.hpp (modified)
	* src/boundary.cpp (modified)
	* src/builder.cpp (modified)
	* src/molecule.hpp (modified)
	* src/molecule_graph.cpp (modified)

	Merge commit 'heber/Analysis_PairCorrelation' into MenuRefactoring


Tue, 02 Feb 2010 12:14:54 GMT Tillmann Crueger <crueger@…> [bfce50]
	* src/Actions/Action.hpp (modified)
	* src/Actions/small_actions.cpp (added)
	* src/Actions/small_actions.hpp (added)
	* src/Makefile.am (modified)
	* src/builder.cpp (modified)
	* src/molecule.hpp (modified)
	* src/moleculelist.cpp (modified)

	Moved method to rename molecules to a seperate Action


Tue, 02 Feb 2010 09:43:52 GMT Frederik Heber <heber@…> [1f1b23]
	* src/atom_bondedparticle.cpp (modified)
	* src/atom_bondedparticle.hpp (modified)
	* src/builder.cpp (modified)
	* src/molecule.hpp (modified)
	* src/molecule_graph.cpp (modified)

	Possibility to store all bonds to file added.

	So far we only could ...


Sat, 30 Jan 2010 17:35:48 GMT Frederik Heber <heber@…> [481601]
	* src/builder.cpp (modified)

	Added output of surfacemap in ParseCommandLineOptions(), case 'C'
	again.


Wed, 27 Jan 2010 14:36:09 GMT Tillmann Crueger <crueger@…> [04b6f9]
	* src/Makefile.am (modified)
	* src/analysis_correlation.cpp (modified)
	* src/analysis_correlation.hpp (modified)
	* src/analyzer.cpp (modified)
	* src/bondgraph.cpp (modified)
	* src/boundary.cpp (modified)
	* src/boundary.hpp (modified)
	* src/builder.cpp (modified)
	* src/config.cpp (modified)
	* src/gslmatrix.cpp (added)
	* src/gslmatrix.hpp (added)
	* src/gslvector.cpp (added)
	* src/gslvector.hpp (added)
	* src/helpers.hpp (modified)
	* src/joiner.cpp (modified)
	* src/linearsystemofequations.cpp (added)
	* src/linearsystemofequations.hpp (added)
	* 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_pointcloud.cpp (modified)
	* src/moleculelist.cpp (modified)
	* src/parser.cpp (modified)
	* src/periodentafel.cpp (modified)
	* src/tesselation.cpp (modified)
	* src/tesselation.hpp (modified)
	* src/tesselationhelpers.cpp (modified)
	* src/tesselationhelpers.hpp (modified)
	* src/unittests/AnalysisCorrelationToPointUnitTest.cpp (modified)
	* src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified)
	* src/unittests/AnalysisPairCorrelationUnitTest.cpp (modified)
	* src/unittests/Makefile.am (modified)
	* src/unittests/analysisbondsunittest.cpp (modified)
	* src/unittests/bondgraphunittest.cpp (modified)
	* src/unittests/gslmatrixsymmetricunittest.cpp (added)
	* src/unittests/gslmatrixsymmetricunittest.hpp (added)
	* src/unittests/gslmatrixunittest.cpp (added)
	* src/unittests/gslmatrixunittest.hpp (added)
	* src/unittests/gslvectorunittest.cpp (added)
	* src/unittests/gslvectorunittest.hpp (added)
	* src/unittests/linearsystemofequationsunittest.cpp (added)
	* src/unittests/linearsystemofequationsunittest.hpp (added)
	* src/unittests/listofbondsunittest.cpp (modified)
	* src/unittests/tesselation_boundarytriangleunittest.cpp (added)
	* src/unittests/tesselation_boundarytriangleunittest.hpp (added)
	* src/unittests/tesselation_insideoutsideunittest.cpp (added)
	* src/unittests/tesselation_insideoutsideunittest.hpp (added)
	* src/unittests/tesselationunittest.cpp (modified)
	* src/unittests/tesselationunittest.hpp (modified)
	* src/vector.cpp (modified)
	* src/version.h (added)
	* tests/regression/Tesselation/1/post/NonConvexEnvelope.dat (modified)
	* tests/regression/Tesselation/1/post/NonConvexEnvelope.r3d (modified)
	* tests/regression/Tesselation/2/post/ConvexEnvelope.dat (modified)
	* tests/regression/Tesselation/2/post/ConvexEnvelope.r3d (modified)
	* tests/regression/Tesselation/2/post/NonConvexEnvelope.dat (modified)
	* tests/regression/Tesselation/2/post/NonConvexEnvelope.r3d (modified)

	Merge commit 'heber/Analysis_PairCorrelation' into MenuRefactoring
 ...


Tue, 26 Jan 2010 12:52:31 GMT Frederik Heber <heber@…> [244a84]
	* src/analysis_correlation.cpp (modified)
	* src/analysis_correlation.hpp (modified)
	* src/bondgraph.cpp (modified)
	* src/builder.cpp (modified)
	* src/molecule.hpp (modified)
	* src/moleculelist.cpp (modified)
	* src/parser.cpp (modified)
	* src/tesselation.cpp (modified)
	* src/tesselation.hpp (modified)

	GetDistanceToSurface() separated, filling now with water instead of ...


Tue, 26 Jan 2010 12:45:41 GMT Tillmann Crueger <crueger@…> [1ca488]
	* src/Makefile.am (modified)
	* src/atom_bondedparticle.cpp (modified)
	* src/bondgraph.cpp (modified)
	* src/boundary.cpp (modified)
	* src/boundary.hpp (modified)
	* src/builder.cpp (modified)
	* src/config.cpp (modified)
	* src/info.cpp (added)
	* src/info.hpp (added)
	* src/molecule.hpp (modified)
	* src/molecule_graph.cpp (modified)
	* src/molecule_pointcloud.cpp (modified)
	* src/moleculelist.cpp (modified)
	* src/parser.cpp (modified)
	* src/tesselation.cpp (modified)
	* src/tesselation.hpp (modified)
	* src/tesselationhelpers.cpp (modified)
	* src/tesselationhelpers.hpp (modified)
	* src/unittests/Makefile.am (modified)
	* src/unittests/infounittest.cpp (added)
	* src/unittests/infounittest.hpp (added)
	* src/vector.cpp (modified)
	* src/vector.hpp (modified)
	* src/verbose.cpp (modified)
	* tests/Tesselations/1_2-dimethoxyethane/NonConvexEnvelope-1_2-dimethoxyethane.dat (modified)
	* tests/Tesselations/1_2-dimethylbenzene/NonConvexEnvelope-1_2-dimethylbenzene.dat (modified)
	* tests/Tesselations/2-methylcyclohexanone/NonConvexEnvelope-2-methylcyclohexanone.dat (modified)
	* tests/Tesselations/C16_0-Torus/NonConvexEnvelope-C16_0-Torus.dat (modified)
	* tests/Tesselations/Makefile.am (modified)
	* tests/Tesselations/N_N-dimethylacetamide/NonConvexEnvelope-N_N-dimethylacetamide.dat (modified)
	* tests/Tesselations/benzene.test (added)
	* tests/Tesselations/benzene/NonConvexEnvelope-benzene.dat (added)
	* tests/Tesselations/benzene/benzene.xyz (added)
	* tests/Tesselations/cholesterol/NonConvexEnvelope-cholesterol.dat (modified)
	* tests/Tesselations/cluster/NonConvexEnvelope-cluster.dat (modified)
	* tests/Tesselations/cycloheptane/NonConvexEnvelope-cycloheptane.dat (modified)
	* tests/Tesselations/defs.in (modified)
	* tests/Tesselations/dimethyl_bromomalonate/NonConvexEnvelope-dimethyl_bromomalonate.dat (modified)
	* tests/Tesselations/glucose/NonConvexEnvelope-glucose.dat (modified)
	* tests/Tesselations/heptan/NonConvexEnvelope-heptan.dat (modified)
	* tests/Tesselations/isoleucine/NonConvexEnvelope-isoleucine.dat (modified)
	* tests/Tesselations/neohexane/NonConvexEnvelope-neohexane.dat (modified)
	* tests/Tesselations/proline/NonConvexEnvelope-proline.dat (modified)
	* tests/Tesselations/putrescine/NonConvexEnvelope-putrescine.dat (modified)
	* tests/Tesselations/round_cluster/NonConvexEnvelope-round_cluster.dat (modified)
	* tests/Tesselations/tartaric_acid/NonConvexEnvelope-tartaric_acid.dat (modified)
	* tests/regression/Tesselation/1/post/NonConvexEnvelope.dat (modified)
	* tests/regression/Tesselation/1/post/NonConvexEnvelope.r3d (modified)
	* tests/regression/Tesselation/2/post/ConvexEnvelope.dat (modified)
	* tests/regression/Tesselation/2/post/ConvexEnvelope.r3d (modified)
	* tests/regression/Tesselation/2/post/NonConvexEnvelope.dat (modified)
	* tests/regression/Tesselation/2/post/NonConvexEnvelope.r3d (modified)
	* tests/regression/Tesselation/3/post/NonConvexEnvelope.dat (modified)
	* tests/regression/Tesselation/3/post/NonConvexEnvelope.r3d (modified)
	* tests/testsuite.at (modified)

	Merge commit 'heber/Analysis_PairCorrelation' into MenuRefactoring
 ...


Thu, 14 Jan 2010 17:36:09 GMT Frederik Heber <heber@…> [9473f6]
	* src/boundary.cpp (modified)
	* src/boundary.hpp (modified)
	* src/builder.cpp (modified)
	* src/tesselation.cpp (modified)
	* src/tesselation.hpp (modified)

	FillBoxWithMolecule now allows boundary between filler molecules and ...


Wed, 13 Jan 2010 10:22:29 GMT Tillmann Crueger <crueger@…> [45f5d6]
	* src/UIElements/Dialog.cpp (modified)
	* src/UIElements/Dialog.hpp (modified)
	* src/UIElements/TextDialog.cpp (modified)
	* src/UIElements/TextDialog.hpp (modified)
	* src/builder.cpp (modified)

	Changed dialog structure to  use objects for queries.


Mon, 11 Jan 2010 09:35:52 GMT Frederik Heber <heber@…> [241485]
	* src/boundary.cpp (modified)
	* src/boundary.hpp (modified)
	* src/builder.cpp (modified)
	* src/tesselation.cpp (modified)
	* src/tesselation.hpp (modified)

	Removed unnecessary epsilon parameter.

	- epsilon before was used as ...


Sun, 10 Jan 2010 19:05:34 GMT Frederik Heber <heber@…> [49e1ae]
	* src/analyzer.cpp (modified)
	* src/builder.cpp (modified)
	* src/config.cpp (modified)
	* src/joiner.cpp (modified)
	* src/molecule.cpp (modified)
	* src/molecule_fragmentation.cpp (modified)
	* src/moleculelist.cpp (modified)
	* src/parser.cpp (modified)
	* src/periodentafel.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_insideoutsideunittest.cpp (modified)
	* src/unittests/tesselationunittest.cpp (modified)

	cstring header was missing in files, supplying definition of strlen, ...


Sat, 09 Jan 2010 11:30:49 GMT Tillmann Crueger <crueger@…> [12b845]
	* src/Actions/ActionRegistry.cpp (modified)
	* src/UIElements/MainWindow.hpp (modified)
	* src/UIElements/TextUIFactory.cpp (modified)
	* src/UIElements/TextUIFactory.hpp (modified)
	* src/UIElements/TextWindow.cpp (modified)
	* src/UIElements/TextWindow.hpp (modified)
	* src/UIElements/UIFactory.hpp (modified)
	* src/builder.cpp (modified)
	* src/menu.cpp (modified)
	* src/menu.hpp (modified)

	Seperated building of mainWindow and contained Menus

	- Moved code ...


Thu, 07 Jan 2010 14:46:34 GMT Tillmann Crueger <crueger@…> [cc04b7]
	* src/Actions/Action.cpp (modified)
	* src/Actions/Action.hpp (modified)
	* src/Actions/ActionRegistry.cpp (added)
	* src/Actions/ActionRegistry.hpp (added)
	* src/Actions/ErrorAction.cpp (modified)
	* src/Actions/ErrorAction.hpp (modified)
	* src/Actions/MakroAction.cpp (modified)
	* src/Actions/MakroAction.hpp (modified)
	* src/Actions/MethodAction.cpp (modified)
	* src/Actions/MethodAction.hpp (modified)
	* src/Makefile.am (modified)
	* src/UIElements/TextUIFactory.cpp (modified)
	* src/UIElements/TextUIFactory.hpp (modified)
	* src/UIElements/TextWindow.cpp (modified)
	* src/UIElements/UIFactory.cpp (modified)
	* src/UIElements/UIFactory.hpp (modified)
	* src/builder.cpp (modified)
	* src/menu.cpp (modified)
	* src/unittests/ActionSequenceTest.cpp (modified)

	Added a central registry that allows access to actions by name.


Tue, 05 Jan 2010 09:23:25 GMT Tillmann Crueger <crueger@…> [235bed]
	* src/builder.cpp (modified)
	* src/config.cpp (modified)
	* src/config.hpp (modified)
	* src/menu.cpp (modified)
	* src/menu.hpp (modified)

	Moved saveConfig method from oldmenu to a method inside config class


Sat, 19 Dec 2009 19:31:34 GMT Frederik Heber <heber@…> [3930eb]
	* src/analysis_correlation.cpp (modified)
	* src/builder.cpp (modified)
	* src/molecule_geometry.cpp (modified)

	Smaller fixes.

	- analysis_correlation.cpp: Info objects created at ...


Wed, 16 Dec 2009 16:18:46 GMT Frederik Heber <heber@…> [0b2dd2]
	* src/builder.cpp (modified)
	* src/molecule_graph.cpp (modified)
	* src/moleculelist.cpp (modified)
	* tests/regression/Tesselation/1/post/NonConvexEnvelope.dat (modified)
	* tests/regression/Tesselation/1/post/NonConvexEnvelope.r3d (modified)
	* tests/regression/Tesselation/2/post/ConvexEnvelope.dat (modified)
	* tests/regression/Tesselation/2/post/ConvexEnvelope.r3d (modified)
	* tests/regression/Tesselation/2/post/NonConvexEnvelope.dat (modified)
	* tests/regression/Tesselation/2/post/NonConvexEnvelope.r3d (modified)
	* tests/regression/Tesselation/3/post/NonConvexEnvelope.dat (modified)
	* tests/regression/Tesselation/3/post/NonConvexEnvelope.r3d (modified)
	* tests/testsuite.at (modified)

	Merge branch 'FixTestSuite' into FixDegeneratedTesselation


Wed, 16 Dec 2009 16:17:50 GMT Frederik Heber <heber@…> [482373]
	* src/builder.cpp (modified)
	* src/molecule_graph.cpp (modified)
	* src/moleculelist.cpp (modified)
	* tests/regression/Tesselation/1/post/NonConvexEnvelope.dat (modified)
	* tests/regression/Tesselation/1/post/NonConvexEnvelope.r3d (modified)
	* tests/regression/Tesselation/2/post/ConvexEnvelope.dat (modified)
	* tests/regression/Tesselation/2/post/ConvexEnvelope.r3d (modified)
	* tests/regression/Tesselation/2/post/NonConvexEnvelope.dat (modified)
	* tests/regression/Tesselation/2/post/NonConvexEnvelope.r3d (modified)
	* tests/regression/Tesselation/3/post/NonConvexEnvelope.dat (modified)
	* tests/regression/Tesselation/3/post/NonConvexEnvelope.r3d (modified)
	* tests/testsuite.at (modified)

	Fixing the testsuite.

	- Putting performCriticalExit() everywhere ...


Wed, 16 Dec 2009 12:30:16 GMT Frederik Heber <heber@…> [65b6e0]
	* src/Actions/Action.cpp (added)
	* src/Actions/Action.hpp (added)
	* src/Actions/MethodAction.cpp (added)
	* src/Actions/MethodAction.hpp (added)
	* src/Makefile.am (modified)
	* src/Menu/ActionMenuItem.cpp (added)
	* src/Menu/ActionMenuItem.hpp (added)
	* src/Menu/Menu.cpp (added)
	* src/Menu/Menu.hpp (added)
	* src/Menu/MenuItem.cpp (added)
	* src/Menu/MenuItem.hpp (added)
	* src/Menu/SeperatorItem.cpp (added)
	* src/Menu/SeperatorItem.hpp (added)
	* src/Menu/SubMenuItem.cpp (added)
	* src/Menu/SubMenuItem.hpp (added)
	* src/Menu/TextMenu.cpp (added)
	* src/Menu/TextMenu.hpp (added)
	* src/builder.cpp (modified)
	* src/menu.cpp (modified)
	* src/menu.hpp (modified)

	Added basic menu and action framework

	- Added action base class
	- ...


Wed, 16 Dec 2009 12:30:16 GMT Frederik Heber <heber@…> [85bc8e]
	* doc/Doxyfile (modified)
	* src/Makefile.am (modified)
	* src/builder.cpp (modified)
	* src/menu.cpp (added)
	* src/menu.hpp (added)

	Started refactoring of the menu. - Created new menu class - moved all ...


Wed, 16 Dec 2009 11:47:47 GMT Frederik Heber <heber@…> [a8eb4a]
	* src/Makefile.am (modified)
	* src/builder.cpp (modified)

	Added versioning to each executable.

	- credits to Ralf Wildenhues ...


Thu, 26 Nov 2009 11:40:01 GMT Frederik Heber <heber@…> [4fc93f]
	* src/boundary.cpp (modified)
	* src/boundary.hpp (modified)
	* src/builder.cpp (modified)
	* src/config.cpp (modified)
	* tests/Tesselations/defs.in (added)

	removing automatic dissection on loading, Tesselations test now ...


Wed, 25 Nov 2009 15:29:18 GMT Frederik Heber <heber@…> [f67b6e]
	* src/boundary.cpp (modified)
	* src/builder.cpp (modified)
	* src/tesselation.cpp (modified)
	* src/tesselation.hpp (modified)
	* src/tesselationhelpers.cpp (modified)

	Multi-Candidate-Add included and incorporated class Info into ...


Tue, 24 Nov 2009 15:34:49 GMT Frederik Heber <heber@…> [6a7f78c]
	* src/boundary.cpp (modified)
	* src/builder.cpp (modified)
	* src/config.cpp (modified)
	* src/molecule.hpp (modified)
	* src/molecule_pointcloud.cpp (modified)
	* src/moleculelist.cpp (modified)
	* src/tesselation.cpp (modified)
	* src/tesselation.hpp (modified)
	* src/tesselationhelpers.cpp (modified)
	* tests/Tesselations/1_2-dimethoxyethane/NonConvexEnvelope-1_2-dimethoxyethane.dat (modified)
	* tests/Tesselations/1_2-dimethylbenzene/NonConvexEnvelope-1_2-dimethylbenzene.dat (modified)
	* tests/Tesselations/2-methylcyclohexanone/NonConvexEnvelope-2-methylcyclohexanone.dat (modified)
	* tests/Tesselations/C16_0-Torus/NonConvexEnvelope-C16_0-Torus.dat (modified)
	* tests/Tesselations/Makefile.am (modified)
	* tests/Tesselations/N_N-dimethylacetamide/NonConvexEnvelope-N_N-dimethylacetamide.dat (modified)
	* tests/Tesselations/benzene.test (added)
	* tests/Tesselations/benzene/NonConvexEnvelope-benzene.dat (added)
	* tests/Tesselations/benzene/benzene.xyz (added)
	* tests/Tesselations/cholesterol/NonConvexEnvelope-cholesterol.dat (modified)
	* tests/Tesselations/cluster/NonConvexEnvelope-cluster.dat (modified)
	* tests/Tesselations/cycloheptane/NonConvexEnvelope-cycloheptane.dat (modified)
	* tests/Tesselations/dimethyl_bromomalonate/NonConvexEnvelope-dimethyl_bromomalonate.dat (modified)
	* tests/Tesselations/glucose/NonConvexEnvelope-glucose.dat (modified)
	* tests/Tesselations/heptan/NonConvexEnvelope-heptan.dat (modified)
	* tests/Tesselations/isoleucine/NonConvexEnvelope-isoleucine.dat (modified)
	* tests/Tesselations/neohexane/NonConvexEnvelope-neohexane.dat (modified)
	* tests/Tesselations/proline/NonConvexEnvelope-proline.dat (modified)
	* tests/Tesselations/putrescine/NonConvexEnvelope-putrescine.dat (modified)
	* tests/Tesselations/round_cluster/NonConvexEnvelope-round_cluster.dat (modified)
	* tests/Tesselations/tartaric_acid/NonConvexEnvelope-tartaric_acid.dat (modified)

	Fixes and naming of final Tecplot output file is now molecule name.
 ...


Mon, 23 Nov 2009 18:51:50 GMT Frederik Heber <heber@…> [e359a8]
	* src/analysis_correlation.hpp (modified)
	* src/boundary.cpp (modified)
	* src/builder.cpp (modified)
	* src/config.cpp (modified)
	* src/helpers.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/tesselation.cpp (modified)
	* src/tesselationhelpers.cpp (modified)

	Fixing ticket #18.

	- each eLog() << Verbose(0) is now followed by ...


Mon, 23 Nov 2009 18:22:33 GMT Frederik Heber <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 ...


Tue, 10 Nov 2009 20:58:31 GMT Frederik Heber <heber@…> [9a0dc8]
	* src/builder.cpp (modified)

	Only biggest molecule is tesselated for now in ...


Sat, 07 Nov 2009 12:16:57 GMT Frederik Heber <heber@…> [568be7]
	* src/builder.cpp (modified)
	* src/config.cpp (modified)
	* src/config.hpp (modified)
	* src/molecule.hpp (modified)
	* src/moleculelist.cpp (modified)

	Added config::SavePDB() and config::SaveMPQC().

	- note: for CODICE ...


Thu, 05 Nov 2009 18:14:08 GMT Frederik Heber <heber@…> [1614174]
	* src/analysis_correlation.cpp (modified)
	* src/boundary.cpp (modified)
	* src/builder.cpp (modified)
	* src/molecule.cpp (modified)
	* src/molecule_geometry.cpp (modified)

	LEAKFIX: ReturnFullMatrixForSymmetric() and InverseMatrix() have ...


Wed, 04 Nov 2009 19:56:04 GMT Frederik Heber <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 <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 14:54:31 GMT Frederik Heber <heber@…> [a5551b]
	* src/analysis_correlation.cpp (modified)
	* src/analysis_correlation.hpp (modified)
	* src/builder.cpp (modified)
	* src/unittests/AnalysisCorrelationToPointUnitTest.cpp (modified)
	* src/unittests/AnalysisCorrelationToPointUnitTest.hpp (modified)
	* src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified)
	* src/unittests/AnalysisCorrelationToSurfaceUnitTest.hpp (modified)
	* src/unittests/AnalysisPairCorrelationUnitTest.cpp (modified)
	* src/unittests/AnalysisPairCorrelationUnitTest.hpp (modified)

	Closed ticket #48 (AnalysisCorrelation...() take MoleculeListClass ...


Wed, 04 Nov 2009 12:57:24 GMT Frederik Heber <heber@…> [f4e1f5]
	* src/builder.cpp (modified)

	Closing ticket #47, case 'C' uses biggest molecule as surface for ...


Tue, 03 Nov 2009 14:34:02 GMT Frederik Heber <heber@…> [ae38fb]
	* src/bondgraph.cpp (modified)
	* src/bondgraph.hpp (modified)
	* src/builder.cpp (modified)
	* src/config.cpp (modified)
	* src/molecule_graph.cpp (modified)
	* src/moleculelist.cpp (modified)

	Fixing not created adjacency list, partially fixing subgraph ...


Tue, 03 Nov 2009 12:37:55 GMT Frederik Heber <heber@…> [7218f8]
	* src/builder.cpp (modified)
	* src/config.cpp (modified)
	* src/helpers.hpp (modified)
	* src/memoryallocator.hpp (modified)
	* src/memoryusageobserver.cpp (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/stackclass.hpp (modified)
	* src/unittests/memoryallocatorunittest.cpp (modified)

	Several memory bugfixes (thx valgrind).

	- main() - shortened case ...


Mon, 02 Nov 2009 12:50:57 GMT Frederik Heber <heber@…> [fa649a]
	* src/boundary.cpp (modified)
	* src/builder.cpp (modified)
	* src/config.cpp (modified)
	* src/config.hpp (modified)
	* src/molecule.cpp (modified)
	* src/molecule.hpp (modified)
	* src/molecule_graph.cpp (modified)
	* src/moleculelist.cpp (modified)

	Small changes.

	- VolumeOfConvexEnvelope() - setprecision corrected ...


Fri, 30 Oct 2009 16:09:29 GMT Frederik Heber <heber@…> [34e0013]
	* src/bondgraph.cpp (modified)
	* src/builder.cpp (modified)
	* src/config.cpp (modified)
	* src/config.hpp (modified)
	* src/molecule_graph.cpp (modified)

	BondGraph is initialized within config::Load(), as it has to happen ...


Fri, 30 Oct 2009 15:49:38 GMT Frederik Heber <heber@…> [b21a64]
	* src/bondgraph.cpp (modified)
	* src/builder.cpp (modified)
	* src/config.cpp (modified)
	* src/config.hpp (modified)
	* src/unittests/bondgraphunittest.cpp (modified)

	BondGraph is parsed if command line switch '-g' is given.

	- ...


Fri, 30 Oct 2009 09:05:30 GMT Frederik Heber <heber@…> [b70721]
	* src/Makefile.am (modified)
	* src/atom_bondedparticle.cpp (modified)
	* src/atom_bondedparticle.hpp (modified)
	* src/bondgraph.cpp (added)
	* src/bondgraph.hpp (added)
	* src/builder.cpp (modified)
	* src/molecule.hpp (modified)
	* src/molecule_graph.cpp (modified)
	* src/unittests/Makefile.am (modified)
	* src/unittests/bondgraphunittest.cpp (added)
	* src/unittests/bondgraphunittest.hpp (added)

	New class BondGraph.

	- BondGraph parses a file containing bond ...


Tue, 27 Oct 2009 16:11:22 GMT Frederik Heber <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. ...


Sun, 18 Oct 2009 14:51:38 GMT Frederik Heber <heber@…> [266237]
	* src/atom.cpp (modified)
	* src/atom.hpp (modified)
	* src/bond.cpp (modified)
	* src/bond.hpp (modified)
	* src/builder.cpp (modified)
	* src/linkedcell.cpp (modified)
	* src/lists.hpp (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/molecule_template.hpp (modified)
	* src/moleculelist.cpp (modified)
	* src/unittests/Makefile.am (modified)
	* src/unittests/listofbondsunittest.cpp (added)
	* src/unittests/listofbondsunittest.hpp (added)

	Huge refactoring: molecule::ListOfBondsPerAtom and ...


Sat, 17 Oct 2009 17:06:42 GMT Frederik Heber <heber@…> [44a59b]
	* src/builder.cpp (modified)
	* src/molecule.hpp (modified)
	* src/molecule_graph.cpp (modified)

	Renamed and rewritten CreateAdjacencyList2().

	- rename ...


Sat, 17 Oct 2009 16:54:46 GMT Frederik Heber <heber@…> [09048c]
	* src/analysis_correlation.hpp (modified)
	* src/builder.cpp (modified)

	Added case 'C' to ParseCommandLineOptions with ...


Thu, 15 Oct 2009 08:10:10 GMT Frederik Heber <heber@…> [db6bf74]
	* src/builder.cpp (modified)
	* src/periodentafel.cpp (modified)

	Fixed two memory leaks.

	- FIX: if the element database could not be ...


Fri, 09 Oct 2009 12:30:54 GMT Frederik Heber <heber@…> [c111db]
	* Makefile.am (modified)
	* configure.ac (modified)
	* src/Makefile.am (modified)
	* src/analyzer.cpp (modified)
	* src/atom.cpp (modified)
	* src/bond.cpp (modified)
	* src/builder.cpp (modified)
	* src/helpers.cpp (modified)
	* src/helpers.hpp (modified)
	* src/memoryallocator.hpp (modified)
	* src/memoryusageobserver.cpp (modified)
	* src/memoryusageobserver.hpp (modified)
	* src/unittests/ActOnAllUnitTest.cpp (moved)
	* src/unittests/ActOnAllUnitTest.hpp (moved)
	* src/unittests/ActOnAlltest.hpp (moved)
	* src/unittests/Makefile.am (added)
	* src/unittests/memoryallocatorunittest.cpp (moved)
	* src/unittests/memoryallocatorunittest.hpp (moved)
	* src/unittests/memoryusageobserverunittest.cpp (moved)
	* src/unittests/memoryusageobserverunittest.hpp (moved)
	* src/unittests/tesselationunittest.cpp (moved)
	* src/unittests/tesselationunittest.hpp (moved)
	* src/unittests/vectorunittest.cpp (moved)
	* src/unittests/vectorunittest.hpp (moved)

	Merge branch 'new-delete-conversion' into CodeRefactoring
 ...


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.

	- ...


Wed, 07 Oct 2009 15:04:23 GMT Saskia Metzler <metzler@…> [be90f1]
	* configure.ac (modified)
	* src/Makefile.am (modified)
	* src/builder.cpp (modified)
	* src/helpers.cpp (modified)
	* src/helpers.hpp (modified)
	* src/memoryallocator.hpp (modified)
	* src/unittests/Makefile.am (added)
	* src/unittests/memoryallocatorunittest.cpp (moved)
	* src/unittests/memoryallocatorunittest.hpp (moved)
	* src/unittests/memoryusageobserverunittest.cpp (moved)
	* src/unittests/memoryusageobserverunittest.hpp (moved)
	* src/unittests/tesselationunittest.cpp (moved)
	* src/unittests/tesselationunittest.hpp (moved)
	* src/unittests/vectorunittest.cpp (moved)
	* src/unittests/vectorunittest.hpp (moved)

	temp commit


Tue, 06 Oct 2009 17:56:15 GMT Frederik Heber <heber@…> [ebcade]
	* src/builder.cpp (modified)
	* tests/Makefile.am (modified)
	* tests/regression/Fragmentation/1/pre/test.conf (added)
	* tests/regression/Fragmentation/2/post/BondFragment0.conf (added)
	* tests/regression/Fragmentation/2/post/BondFragment0.conf.xyz (added)
	* tests/regression/Fragmentation/2/post/BondFragment1.conf (added)
	* tests/regression/Fragmentation/2/post/BondFragment1.conf.xyz (added)
	* tests/regression/Fragmentation/2/post/BondFragment2.conf (added)
	* tests/regression/Fragmentation/2/post/BondFragment2.conf.xyz (added)
	* tests/regression/Fragmentation/2/post/BondFragment3.conf (added)
	* tests/regression/Fragmentation/2/post/BondFragment3.conf.xyz (added)
	* tests/regression/Fragmentation/2/post/BondFragment4.conf (added)
	* tests/regression/Fragmentation/2/post/BondFragment4.conf.xyz (added)
	* tests/regression/Fragmentation/2/post/BondFragmentAdjacency.dat (added)
	* tests/regression/Fragmentation/2/post/BondFragmentForces-Factors.dat (added)
	* tests/regression/Fragmentation/2/post/BondFragmentKeySets.dat (added)
	* tests/regression/Fragmentation/2/post/BondFragmentOrderAtSite.dat (added)
	* tests/regression/Fragmentation/2/post/BondFragmentTE-Factors.dat (added)
	* tests/regression/Fragmentation/2/post/test.conf (added)
	* tests/regression/Fragmentation/2/pre/test.conf (added)
	* tests/regression/Fragmentation/3/pre/BondFragment0.conf (added)
	* tests/regression/Fragmentation/3/pre/BondFragment0.conf.xyz (added)
	* tests/regression/Fragmentation/3/pre/BondFragment1.conf (added)
	* tests/regression/Fragmentation/3/pre/BondFragment1.conf.xyz (added)
	* tests/regression/Fragmentation/3/pre/BondFragment2.conf (added)
	* tests/regression/Fragmentation/3/pre/BondFragment2.conf.xyz (added)
	* tests/regression/Fragmentation/3/pre/BondFragment3.conf (added)
	* tests/regression/Fragmentation/3/pre/BondFragment3.conf.xyz (added)
	* tests/regression/Fragmentation/3/pre/BondFragment4.conf (added)
	* tests/regression/Fragmentation/3/pre/BondFragment4.conf.xyz (added)
	* tests/regression/Fragmentation/3/pre/BondFragmentAdjacency.dat (added)
	* tests/regression/Fragmentation/3/pre/BondFragmentForces-Factors.dat (added)
	* tests/regression/Fragmentation/3/pre/BondFragmentKeySets.dat (added)
	* tests/regression/Fragmentation/3/pre/BondFragmentOrderAtSite.dat (added)
	* tests/regression/Fragmentation/3/pre/BondFragmentTE-Factors.dat (added)
	* tests/regression/Fragmentation/3/pre/test.conf (added)
	* tests/regression/Graph/1/post/test.conf (added)
	* tests/regression/Graph/1/pre/test.conf (added)
	* tests/regression/Simple_configuration/1/post/test.xyz (added)
	* tests/regression/Simple_configuration/2/post/test.conf (added)
	* tests/regression/Simple_configuration/2/post/test.conf.xyz (added)
	* tests/regression/Simple_configuration/2/pre/test.xyz (added)
	* tests/regression/Simple_configuration/3/post/test.conf (added)
	* tests/regression/Simple_configuration/3/post/test.conf.xyz (added)
	* tests/regression/Simple_configuration/4/post/test.conf (added)
	* tests/regression/Simple_configuration/4/post/test.conf.xyz (added)
	* tests/regression/Simple_configuration/4/pre/test.conf (added)
	* tests/regression/Simple_configuration/5/post/test.conf (added)
	* tests/regression/Simple_configuration/5/post/test.conf.xyz (added)
	* tests/regression/Simple_configuration/5/pre/test.conf (added)
	* tests/regression/Simple_configuration/6/pre/empty.conf (added)
	* tests/regression/Simple_configuration/7/pre/test.conf (added)
	* tests/regression/Tesselation/1/post/NonConvexEnvelope.dat (added)
	* tests/regression/Tesselation/1/post/NonConvexEnvelope.r3d (added)
	* tests/regression/Tesselation/1/post/test.conf (added)
	* tests/regression/Tesselation/1/pre/test.conf (added)
	* tests/regression/Tesselation/2/post/ConvexEnvelope.dat (added)
	* tests/regression/Tesselation/2/post/ConvexEnvelope.r3d (added)
	* tests/regression/Tesselation/2/post/NonConvexEnvelope.dat (added)
	* tests/regression/Tesselation/2/post/NonConvexEnvelope.r3d (added)
	* tests/regression/Tesselation/2/post/test.conf (added)
	* tests/regression/Tesselation/2/pre/test.conf (added)
	* tests/regression/Tesselation/3/post/NonConvexEnvelope.dat (added)
	* tests/regression/Tesselation/3/post/NonConvexEnvelope.r3d (added)
	* tests/regression/Tesselation/3/post/tecplot.phy (added)
	* tests/regression/Tesselation/3/post/test.conf (added)
	* tests/regression/Tesselation/3/pre/test.conf (added)
	* tests/regression/Tesselation/4/post/NonConvexEnvelope.dat (added)
	* tests/regression/Tesselation/4/post/NonConvexEnvelope.r3d (added)
	* tests/regression/Tesselation/4/post/test.conf (added)
	* tests/regression/Tesselation/4/pre/test.conf (added)
	* tests/testsuite.at (modified)

	Extended the testsuite to encompass the vital areas of molecuilder.
 ...


Mon, 05 Oct 2009 22:10:53 GMT Frederik Heber <heber@…> [cee0b57]
	* src/Makefile.am (modified)
	* src/boundary.hpp (modified)
	* src/builder.cpp (modified)
	* src/config.hpp (modified)
	* src/graph.hpp (modified)
	* src/linkedcell.cpp (modified)
	* src/molecule.cpp (modified)
	* src/molecule.hpp (modified)
	* src/molecule_dynamics.cpp (added)
	* src/molecule_fragmentation.cpp (added)
	* src/molecule_geometry.cpp (added)
	* src/molecule_graph.cpp (added)
	* src/molecule_pointcloud.cpp (added)
	* src/moleculelist.cpp (modified)
	* src/verbose.cpp (modified)

	class molecule implementation split up into six separate parts.

	- ...


Mon, 05 Oct 2009 17:21:58 GMT Frederik Heber <heber@…> [c26f44]
	* src/Makefile.am (modified)
	* src/atom.cpp (modified)
	* src/builder.cpp (modified)
	* src/memoryallocator.hpp (modified)
	* src/memoryusageobserver.cpp (modified)
	* src/memoryusageobserver.hpp (modified)
	* src/molecules.cpp (modified)
	* src/tesselation.cpp (modified)
	* src/tesselationunittest.cpp (modified)
	* tests/testsuite.at (modified)

	Fixed testsuite, removed some minor bugs.

	- ...


Mon, 05 Oct 2009 16:05:53 GMT Frederik Heber <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:

	        ...


Mon, 05 Oct 2009 14:50:43 GMT metzler <metzler@…> [b66c22]
	* src/Makefile.am (modified)
	* src/builder.cpp (modified)
	* src/helpers.cpp (modified)
	* src/memoryallocator.hpp (modified)
	* src/memoryusageobserver.cpp (added)
	* src/memoryusageobserver.hpp (added)
	* src/memoryusageobserverunittest.cpp (added)
	* src/memoryusageobserverunittest.hpp (added)

	#19 Observe memory usage


Mon, 28 Sep 2009 18:41:52 GMT Frederik Heber <heber@…> [f7f7a4]
	* src/builder.cpp (modified)
	* src/moleculelist.cpp (modified)
	* src/molecules.cpp (modified)
	* src/molecules.hpp (modified)

	Implemenation of embedding merge, untested. LinearInterpolation now ...


Fri, 21 Aug 2009 12:17:52 GMT Frederik Heber <heber@…> [d4fa23]
	* src/boundary.cpp (modified)
	* src/boundary.hpp (modified)
	* src/builder.cpp (modified)

	New function RemoveAllBoundaryPoints() for sequentially removing all ...


Thu, 20 Aug 2009 07:48:07 GMT Frederik Heber <heber@…> [34e0592]
	* src/boundary.cpp (modified)
	* src/boundary.hpp (modified)
	* src/builder.cpp (modified)
	* src/config.hpp (modified)
	* src/molecules.hpp (modified)
	* src/tesselation.cpp (modified)
	* src/tesselation.hpp (modified)
	* src/tesselationhelpers.cpp (modified)
	* src/tesselationhelpers.hpp (modified)

	Merge branch 'ConcaveHull' of ...


Wed, 19 Aug 2009 12:22:08 GMT Frederik Heber <heber@…> [658efb]
	* src/boundary.cpp (modified)
	* src/builder.cpp (modified)
	* src/tesselation.cpp (modified)
	* src/tesselationhelpers.cpp (modified)

	Replaced Vector::Projection() by Vector::ScalarProduct()

	- ...


Mon, 17 Aug 2009 13:20:16 GMT Saskia Metzler <metzler@…> [f1cccd]
	* src/boundary.cpp (modified)
	* src/boundary.hpp (modified)
	* src/builder.cpp (modified)
	* src/tesselation.cpp (modified)
	* src/tesselation.hpp (modified)
	* src/tesselationhelpers.cpp (modified)
	* src/tesselationhelpers.hpp (modified)

	Ticket 14: Rename .._.. functions in boundary.cpp


Mon, 17 Aug 2009 10:29:03 GMT Frederik Heber <heber@…> [86381b]
	* src/builder.cpp (modified)

	Sorted the menu list in ParseCommandLineParamaters() and print volume ...


Mon, 10 Aug 2009 16:11:47 GMT Frederik Heber <heber@…> [08ef35]
	* src/boundary.cpp (modified)
	* src/boundary.hpp (modified)
	* src/builder.cpp (modified)
	* src/tesselation.cpp (modified)
	* src/tesselation.hpp (modified)

	New function ConvexizeNonconvexEnvelope() to calculate the volume of ...


Sat, 08 Aug 2009 19:22:28 GMT Frederik Heber <heber@…> [8bb475f]
	* src/builder.cpp (modified)

	ParseCommandLineOptions(), NonConvex tesselation is now clocked.


Fri, 07 Aug 2009 09:13:21 GMT Frederik Heber <heber@…> [f3278b]
	* src/boundary.cpp (modified)
	* src/boundary.hpp (modified)
	* src/builder.cpp (modified)
	* src/molecules.cpp (modified)
	* src/molecules.hpp (modified)

	Test case of filling a simulation domain with water included.


Tue, 04 Aug 2009 13:55:11 GMT Frederik Heber <heber@…> [9f97c5]
	* src/builder.cpp (modified)

	FillWithMolecule() for testing built into ParseCommandLine()


Mon, 03 Aug 2009 14:48:42 GMT Frederik Heber <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 <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 10:33:53 GMT Frederik Heber <heber@…> [a567c3]
	* src/boundary.cpp (modified)
	* src/builder.cpp (modified)

	ConvexTesselation working again.

	- File was not written, as NULL ...


Mon, 27 Jul 2009 14:08:27 GMT Frederik Heber <heber@…> [b6d8a9]
	* src/builder.cpp (modified)

	BUGFIX: ManipulateAtoms() had mol = NULL

	- in ManipulateAtoms() the ...


Mon, 27 Jul 2009 08:16:03 GMT Frederik Heber <heber@…> [d30402]
	* src/boundary.cpp (modified)
	* src/boundary.hpp (modified)
	* src/builder.cpp (modified)

	Split VolumeOfConvexEnvelope() into find_convex_border() and ...


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 14:21:57 GMT Frederik Heber <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.


Thu, 23 Jul 2009 14:04:47 GMT Frederik Heber <heber@…> [51c910]
	* src/builder.cpp (modified)
	* src/molecules.cpp (modified)

	Merge branch 'AtomRemoval'

	Conflicts:

	        ...


Thu, 23 Jul 2009 13:53:01 GMT Frederik Heber <heber@…> [375b458]
	* src/builder.cpp (modified)
	* src/molecules.cpp (modified)

	fixed indentation from tabs to two spaces.


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 12:32:48 GMT Frederik Heber <heber@…> [ce5ac3]
	* 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/helpers.cpp (modified)
	* src/molecules.cpp (modified)
	* src/parser.cpp (modified)
	* src/vector.cpp (modified)
	* src/verbose.cpp (modified)

	Fix indentation from tabs to two spaces to prepare merging with ...


Thu, 23 Jul 2009 12:14:13 GMT Frederik Heber <heber@…> [437922]
	* 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/joiner.cpp (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)

	Fix indentation from tab to two spaces.

	The trouble was caused at ...


Thu, 23 Jul 2009 11:23:59 GMT Frederik Heber <heber@…> [631dcb]
	* 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/defs.hpp (modified)
	* src/joiner.cpp (modified)
	* src/moleculelist.cpp (modified)
	* src/molecules.cpp (modified)
	* src/molecules.hpp (modified)

	Merge branch 'Thermostat'

	Conflicts:

	        .gitignore
	        ...


Fri, 10 Jul 2009 12:48:05 GMT Frederik Heber <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, ...


Thu, 09 Jul 2009 11:38:33 GMT Frederik Heber <heber@…> [e72001]
	* src/builder.cpp (modified)

	Memory leak fix: ParseCommandLineOptions() and main() free'd mol ...


Thu, 09 Jul 2009 11:01:08 GMT Frederik Heber <heber@…> [989bf6]
	* src/builder.cpp (modified)
	* src/config.cpp (modified)
	* src/molecules.hpp (modified)
	* src/periodentafel.cpp (modified)
	* src/periodentafel.hpp (modified)

	Changed the unsatisfactory PathToDatabases construct, removing ...


Thu, 09 Jul 2009 10:31:05 GMT Frederik Heber <heber@…> [4777e9]
	* src/analyzer.cpp (modified)
	* src/builder.cpp (modified)
	* src/moleculelist.cpp (modified)

	Removed unneeded variables


Tue, 07 Jul 2009 08:17:53 GMT Frederik Heber <heber@…> [ce4d22]
	* src/builder.cpp (modified)

	BUGFIX: LinkedCell list had to created with 2.*RADIUS of sphere
 ...


Tue, 07 Jul 2009 08:11:47 GMT Frederik Heber <heber@…> [260b2f]
	* src/boundary.cpp (modified)
	* src/builder.cpp (modified)

	Cosmetical changes in Find_third_point_for_tesselation() and ...


Fri, 03 Jul 2009 14:25:17 GMT Frederik Heber <heber@…> [a5b2c3a]
	* src/builder.cpp (modified)

	Removing of atoms via command line possible

	-R switchs allows for ...


Wed, 03 Jun 2009 16:16:37 GMT Frederik Heber <heber@…> [c54da3]
	* src/builder.cpp (modified)
	* src/molecules.cpp (modified)

	BUGFIX: RemoveAtom() would remove the iterator, ...


Fri, 10 Apr 2009 23:28:02 GMT Frederik Heber <heber@…> [09af1b]
	* src/analyzer.cpp (modified)
	* src/boundary.cpp (modified)
	* src/builder.cpp (modified)
	* src/ellipsoid.cpp (modified)

	removed lots of warnings due to unused variables

	This arose due to ...


Wed, 08 Apr 2009 11:35:42 GMT Frederik Heber <heber@…> [63f06e]
	* src/builder.cpp (modified)

	fixes due to changes in molecule structure (Center...()) and merge ...


Thu, 02 Apr 2009 16:42:36 GMT Frederik Heber <heber@…> [ca3ccc]
	* src/builder.cpp (modified)

	simple switched order for edit molecule to be in alphabetical
	ordering


Thu, 02 Apr 2009 16:12:54 GMT Frederik Heber <heber@…> [1907a7]
	* src/atom.cpp (modified)
	* src/builder.cpp (modified)
	* src/config.cpp (modified)
	* src/helpers.cpp (modified)
	* src/moleculelist.cpp (modified)
	* src/molecules.cpp (modified)
	* src/molecules.hpp (modified)

	Basic implementation of Multiple molecules.

	builder.cpp:
	 - ...


Tue, 10 Feb 2009 12:04:37 GMT Frederik Heber <heber@…> [d8b94a]
	* src/builder.cpp (modified)
	* src/config.cpp (modified)
	* src/molecules.hpp (modified)

	Gaussian basis for MPQC input files can now be specified with -B ...


Mon, 09 Feb 2009 23:17:38 GMT Frederik Heber <heber@…> [2746be]
	* src/builder.cpp (modified)
	* src/config.cpp (modified)
	* src/moleculelist.cpp (modified)
	* src/molecules.hpp (modified)

	Basis for MPQC can now be specified via command line switch

	 * -B ...


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


Mon, 29 Dec 2008 12:25:04 GMT Frederik Heber <heber@…> [12298c]
	* src/#border.cpp# (deleted)
	* src/#makefile# (deleted)
	* src/#molecules.hpp# (deleted)
	* src/boundary.cpp (modified)
	* src/boundary.hpp (modified)
	* src/builder.cpp (modified)

	Now we also produce Raster3D output files additionally to TecPlot ...


Mon, 08 Dec 2008 14:16:34 GMT Christian Neuen <neuen@…> [f714979]
	* src/boundary.cpp (modified)
	* src/boundary.hpp (modified)
	* src/builder.cpp (modified)
	* src/molecules.cpp (modified)

	Another update w.r.t. the Tesselation.
	Some signs switched, but atom ...


Thu, 04 Dec 2008 15:15:00 GMT Christian Neuen <neuen@…> [a8bcea6]
	* src/border.cpp (deleted)
	* src/boundary.cpp (modified)
	* src/boundary.hpp (modified)
	* src/builder.cpp (modified)

	several changes, now output is created, quality unknown