Changeset bbbad5
- Timestamp:
- Aug 11, 2010, 9:25:47 AM (15 years ago)
- Branches:
- Action_Thermostats, Add_AtomRandomPerturbation, Add_FitFragmentPartialChargesAction, Add_RotateAroundBondAction, Add_SelectAtomByNameAction, Added_ParseSaveFragmentResults, AddingActions_SaveParseParticleParameters, Adding_Graph_to_ChangeBondActions, Adding_MD_integration_tests, Adding_ParticleName_to_Atom, Adding_StructOpt_integration_tests, AtomFragments, Automaking_mpqc_open, AutomationFragmentation_failures, Candidate_v1.5.4, Candidate_v1.6.0, Candidate_v1.6.1, Candidate_v1.7.0, ChangeBugEmailaddress, ChangingTestPorts, ChemicalSpaceEvaluator, CombiningParticlePotentialParsing, Combining_Subpackages, Debian_Package_split, Debian_package_split_molecuildergui_only, Disabling_MemDebug, Docu_Python_wait, EmpiricalPotential_contain_HomologyGraph, EmpiricalPotential_contain_HomologyGraph_documentation, Enable_parallel_make_install, Enhance_userguide, Enhanced_StructuralOptimization, Enhanced_StructuralOptimization_continued, Example_ManyWaysToTranslateAtom, Exclude_Hydrogens_annealWithBondGraph, FitPartialCharges_GlobalError, Fix_BoundInBox_CenterInBox_MoleculeActions, Fix_ChargeSampling_PBC, Fix_ChronosMutex, Fix_FitPartialCharges, Fix_FitPotential_needs_atomicnumbers, Fix_ForceAnnealing, Fix_IndependentFragmentGrids, Fix_ParseParticles, Fix_ParseParticles_split_forward_backward_Actions, Fix_PopActions, Fix_QtFragmentList_sorted_selection, Fix_Restrictedkeyset_FragmentMolecule, Fix_StatusMsg, Fix_StepWorldTime_single_argument, Fix_Verbose_Codepatterns, Fix_fitting_potentials, Fixes, ForceAnnealing_goodresults, ForceAnnealing_oldresults, ForceAnnealing_tocheck, ForceAnnealing_with_BondGraph, ForceAnnealing_with_BondGraph_continued, ForceAnnealing_with_BondGraph_continued_betteresults, ForceAnnealing_with_BondGraph_contraction-expansion, FragmentAction_writes_AtomFragments, FragmentMolecule_checks_bonddegrees, GeometryObjects, Gui_Fixes, Gui_displays_atomic_force_velocity, ImplicitCharges, IndependentFragmentGrids, IndependentFragmentGrids_IndividualZeroInstances, IndependentFragmentGrids_IntegrationTest, IndependentFragmentGrids_Sole_NN_Calculation, JobMarket_RobustOnKillsSegFaults, JobMarket_StableWorkerPool, JobMarket_unresolvable_hostname_fix, MoreRobust_FragmentAutomation, ODR_violation_mpqc_open, PartialCharges_OrthogonalSummation, PdbParser_setsAtomName, PythonUI_with_named_parameters, QtGui_reactivate_TimeChanged_changes, Recreated_GuiChecks, Rewrite_FitPartialCharges, RotateToPrincipalAxisSystem_UndoRedo, SaturateAtoms_findBestMatching, SaturateAtoms_singleDegree, StoppableMakroAction, Subpackage_CodePatterns, Subpackage_JobMarket, Subpackage_LinearAlgebra, Subpackage_levmar, Subpackage_mpqc_open, Subpackage_vmg, Switchable_LogView, ThirdParty_MPQC_rebuilt_buildsystem, TrajectoryDependenant_MaxOrder, TremoloParser_IncreasedPrecision, TremoloParser_MultipleTimesteps, TremoloParser_setsAtomName, Ubuntu_1604_changes, stable
- Children:
- bf3817
- Parents:
- 61951b
- git-author:
- Frederik Heber <heber@…> (08/11/10 08:36:24)
- git-committer:
- Frederik Heber <heber@…> (08/11/10 09:25:47)
- Location:
- src
- Files:
-
- 43 edited
-
Actions/ValueStorage.cpp (modified) (1 diff)
-
BoundaryLineSet.cpp (modified) (1 diff)
-
BoundaryPointSet.cpp (modified) (1 diff)
-
BoundaryPolygonSet.cpp (modified) (1 diff)
-
BoundaryTriangleSet.cpp (modified) (1 diff)
-
Box.cpp (modified) (1 diff)
-
CandidateForTesselation.cpp (modified) (1 diff)
-
ConfigFileBuffer.cpp (modified) (1 diff)
-
Descriptors/AtomSelectionDescriptor.cpp (modified) (1 diff)
-
Descriptors/MoleculeFormulaDescriptor.cpp (modified) (1 diff)
-
Descriptors/MoleculeNameDescriptor.cpp (modified) (1 diff)
-
Descriptors/MoleculeSelectionDescriptor.cpp (modified) (1 diff)
-
Exceptions/IllegalTypeException.cpp (modified) (1 diff)
-
Exceptions/MissingValueException.cpp (modified) (1 diff)
-
Exceptions/NotInvertibleException.cpp (modified) (1 diff)
-
Exceptions/ParseError.cpp (modified) (1 diff)
-
Formula.cpp (modified) (1 diff)
-
Helpers/Assert.cpp (modified) (1 diff)
-
Helpers/Verbose.cpp (modified) (2 diffs)
-
LinearAlgebra/Matrix.cpp (modified) (1 diff)
-
LinearAlgebra/VectorInterface.cpp (modified) (1 diff)
-
Parser/ChangeTracker.cpp (modified) (1 diff)
-
Parser/FormatParserStorage.cpp (modified) (1 diff)
-
Parser/MpqcParser.cpp (modified) (1 diff)
-
Parser/PcpParser.cpp (modified) (1 diff)
-
PointCloud.cpp (modified) (1 diff)
-
Shapes/BaseShapes.cpp (modified) (1 diff)
-
Shapes/Shape.cpp (modified) (1 diff)
-
Shapes/ShapeOps.cpp (modified) (1 diff)
-
TesselPoint.cpp (modified) (1 diff)
-
ThermoStatContainer.cpp (modified) (1 diff)
-
UIElements/Menu/QT4/QTMenu.cpp (modified) (1 diff)
-
UIElements/QT4/QTDialog.cpp (modified) (1 diff)
-
UIElements/QT4/QTMainWindow.cpp (modified) (3 diffs)
-
UIElements/QT4/QTUIFactory.cpp (modified) (1 diff)
-
UIElements/TextUI/TextUIFactory.cpp (modified) (1 diff)
-
UIElements/Views/QT4/GLMoleculeView.cpp (modified) (1 diff)
-
UIElements/Views/QT4/QTMoleculeView.cpp (modified) (1 diff)
-
UIElements/Views/QT4/QTStatusBar.cpp (modified) (2 diffs)
-
UIElements/Views/QT4/QTWorldView.cpp (modified) (1 diff)
-
defs.cpp (modified) (1 diff)
-
molecule_geometry.cpp (modified) (1 diff)
-
periodentafel.cpp (modified) (1 diff)
Legend:
- Unmodified
- Added
- Removed
-
src/Actions/ValueStorage.cpp
r61951b rbbbad5 6 6 */ 7 7 8 #include "Helpers/MemDebug.hpp" 8 9 9 10 #include "ValueStorage.hpp" -
src/BoundaryLineSet.cpp
r61951b rbbbad5 5 5 * Author: heber 6 6 */ 7 8 #include "Helpers/MemDebug.hpp" 7 9 8 10 #include "BoundaryLineSet.hpp" -
src/BoundaryPointSet.cpp
r61951b rbbbad5 5 5 * Author: heber 6 6 */ 7 8 #include "Helpers/MemDebug.hpp" 7 9 8 10 #include "BoundaryPointSet.hpp" -
src/BoundaryPolygonSet.cpp
r61951b rbbbad5 5 5 * Author: heber 6 6 */ 7 8 #include "Helpers/MemDebug.hpp" 7 9 8 10 #include "BoundaryPolygonSet.hpp" -
src/BoundaryTriangleSet.cpp
r61951b rbbbad5 5 5 * Author: heber 6 6 */ 7 8 #include "Helpers/MemDebug.hpp" 7 9 8 10 #include "BoundaryTriangleSet.hpp" -
src/Box.cpp
r61951b rbbbad5 6 6 */ 7 7 8 //#include "Helpers/MemDebug.hpp"8 #include "Helpers/MemDebug.hpp" 9 9 10 10 #include "Box.hpp" -
src/CandidateForTesselation.cpp
r61951b rbbbad5 5 5 * Author: heber 6 6 */ 7 8 #include "Helpers/MemDebug.hpp" 7 9 8 10 #include "CandidateForTesselation.hpp" -
src/ConfigFileBuffer.cpp
r61951b rbbbad5 5 5 * Author: heber 6 6 */ 7 8 #include "Helpers/MemDebug.hpp" 7 9 8 10 #include "ConfigFileBuffer.hpp" -
src/Descriptors/AtomSelectionDescriptor.cpp
r61951b rbbbad5 5 5 * Author: crueger 6 6 */ 7 8 #include "Helpers/MemDebug.hpp" 7 9 8 10 #include "Descriptors/AtomSelectionDescriptor.hpp" -
src/Descriptors/MoleculeFormulaDescriptor.cpp
r61951b rbbbad5 5 5 * Author: crueger 6 6 */ 7 8 #include "Helpers/MemDebug.hpp" 7 9 8 10 #include "MoleculeFormulaDescriptor.hpp" -
src/Descriptors/MoleculeNameDescriptor.cpp
r61951b rbbbad5 5 5 * Author: heber 6 6 */ 7 8 #include "Helpers/MemDebug.hpp" 7 9 8 10 #include "MoleculeNameDescriptor.hpp" -
src/Descriptors/MoleculeSelectionDescriptor.cpp
r61951b rbbbad5 5 5 * Author: crueger 6 6 */ 7 8 #include "Helpers/MemDebug.hpp" 7 9 8 10 #include "Descriptors/MoleculeSelectionDescriptor.hpp" -
src/Exceptions/IllegalTypeException.cpp
r61951b rbbbad5 5 5 * Author: crueger 6 6 */ 7 8 #include "Helpers/MemDebug.hpp" 7 9 8 10 #include "IllegalTypeException.hpp" -
src/Exceptions/MissingValueException.cpp
r61951b rbbbad5 5 5 * Author: heber 6 6 */ 7 8 #include "Helpers/MemDebug.hpp" 7 9 8 10 #include "MissingValueException.hpp" -
src/Exceptions/NotInvertibleException.cpp
r61951b rbbbad5 5 5 * Author: crueger 6 6 */ 7 8 #include "Helpers/MemDebug.hpp" 7 9 8 10 #include "NotInvertibleException.hpp" -
src/Exceptions/ParseError.cpp
r61951b rbbbad5 5 5 * Author: crueger 6 6 */ 7 8 #include "Helpers/MemDebug.hpp" 7 9 8 10 #include "ParseError.hpp" -
src/Formula.cpp
r61951b rbbbad5 5 5 * Author: crueger 6 6 */ 7 8 #include "Helpers/MemDebug.hpp" 7 9 8 10 #include "Formula.hpp" -
src/Helpers/Assert.cpp
r61951b rbbbad5 5 5 * Author: crueger 6 6 */ 7 8 #include "Helpers/MemDebug.hpp" 7 9 8 10 #include "Helpers/Assert.hpp" -
src/Helpers/Verbose.cpp
r61951b rbbbad5 1 using namespace std; 1 /** \file Verbose.cpp 2 * 3 * Function implementations for the class Verbose. 4 * 5 */ 2 6 3 7 #include "Helpers/MemDebug.hpp" … … 6 10 #include "Helpers/Verbose.hpp" 7 11 #include <iostream> 12 13 using namespace std; 8 14 9 15 /** Prints the tabs according to verbosity stored in the temporary constructed class. -
src/LinearAlgebra/Matrix.cpp
r61951b rbbbad5 5 5 * Author: crueger 6 6 */ 7 8 #include "Helpers/MemDebug.hpp" 7 9 8 10 #include "LinearAlgebra/Matrix.hpp" -
src/LinearAlgebra/VectorInterface.cpp
r61951b rbbbad5 5 5 * Author: heber 6 6 */ 7 8 #include "Helpers/MemDebug.hpp" 7 9 8 10 #include "VectorInterface.hpp" -
src/Parser/ChangeTracker.cpp
r61951b rbbbad5 7 7 8 8 #include "Helpers/MemDebug.hpp" 9 9 10 #include "Parser/ChangeTracker.hpp" 10 11 #include "Patterns/Singleton_impl.hpp" -
src/Parser/FormatParserStorage.cpp
r61951b rbbbad5 5 5 * 6 6 */ 7 8 #include "Helpers/MemDebug.hpp" 7 9 8 10 #include <iostream> -
src/Parser/MpqcParser.cpp
r61951b rbbbad5 5 5 * Author: heber 6 6 */ 7 8 #include "Helpers/MemDebug.hpp" 7 9 8 10 #include "MpqcParser.hpp" -
src/Parser/PcpParser.cpp
r61951b rbbbad5 5 5 * Author: heber 6 6 */ 7 8 #include "Helpers/MemDebug.hpp" 7 9 8 10 #include <iostream> -
src/PointCloud.cpp
r61951b rbbbad5 5 5 * Author: heber 6 6 */ 7 8 #include "Helpers/MemDebug.hpp" 7 9 8 10 #include "PointCloud.hpp" -
src/Shapes/BaseShapes.cpp
r61951b rbbbad5 5 5 * Author: crueger 6 6 */ 7 8 #include "Helpers/MemDebug.hpp" 7 9 8 10 #include "Shapes/BaseShapes.hpp" -
src/Shapes/Shape.cpp
r61951b rbbbad5 5 5 * Author: crueger 6 6 */ 7 8 #include "Helpers/MemDebug.hpp" 7 9 8 10 #include "Shape.hpp" -
src/Shapes/ShapeOps.cpp
r61951b rbbbad5 5 5 * Author: crueger 6 6 */ 7 8 #include "Helpers/MemDebug.hpp" 7 9 8 10 #include "Shapes/ShapeOps.hpp" -
src/TesselPoint.cpp
r61951b rbbbad5 5 5 * Author: heber 6 6 */ 7 8 #include "Helpers/MemDebug.hpp" 7 9 8 10 #include "TesselPoint.hpp" -
src/ThermoStatContainer.cpp
r61951b rbbbad5 5 5 * Author: heber 6 6 */ 7 8 #include "Helpers/MemDebug.hpp" 7 9 8 10 #include <cstring> -
src/UIElements/Menu/QT4/QTMenu.cpp
r61951b rbbbad5 6 6 */ 7 7 8 8 9 #include "Menu/QT4/QTMenu.hpp" 9 10 10 11 #include <Qt/qaction.h> 12 13 #include "Helpers/MemDebug.hpp" 14 11 15 #include "Menu/MenuItem.hpp" 12 16 -
src/UIElements/QT4/QTDialog.cpp
r61951b rbbbad5 5 5 * Author: crueger 6 6 */ 7 7 8 8 9 #include "UIElements/QT4/QTDialog.hpp" -
src/UIElements/QT4/QTMainWindow.cpp
r61951b rbbbad5 5 5 * Author: crueger 6 6 */ 7 7 8 8 9 #include "QTMainWindow.hpp" … … 19 20 #include<boost/bind.hpp> 20 21 22 #include "Helpers/MemDebug.hpp" 23 21 24 #include "atom.hpp" 22 25 #include "molecule.hpp" … … 32 35 #include "Views/QT4/QTMoleculeView.hpp" 33 36 #include "Views/QT4/QTStatusBar.hpp" 34 #include "Helpers/MemDebug.hpp"35 36 37 37 38 using namespace std; -
src/UIElements/QT4/QTUIFactory.cpp
r61951b rbbbad5 6 6 */ 7 7 8 // include config.h 9 #ifdef HAVE_CONFIG_H 10 #include <config.h> 11 #endif 12 8 13 #include <iostream> 9 14 #include <cassert> 10 15 11 using namespace std; 16 #include <qapplication.h> 12 17 13 #include <qapplication.h>14 18 15 19 #include "UIElements/QT4/QTUIFactory.hpp" 16 20 #include "UIElements/QT4/QTMainWindow.hpp" 17 21 #include "UIElements/QT4/QTDialog.hpp" 22 23 #include "Helpers/MemDebug.hpp" 24 18 25 #include "version.h" 19 26 #include "defs.hpp" 20 #include "Helpers/MemDebug.hpp" 27 28 using namespace std; 21 29 22 30 QTUIFactory::QTUIFactory() : -
src/UIElements/TextUI/TextUIFactory.cpp
r61951b rbbbad5 5 5 * Author: crueger 6 6 */ 7 8 #include "Helpers/MemDebug.hpp" 7 9 8 10 #include "UIElements/TextUI/TextUIFactory.hpp" -
src/UIElements/Views/QT4/GLMoleculeView.cpp
r61951b rbbbad5 6 6 */ 7 7 8 8 9 #include "GLMoleculeView.hpp" 10 11 #include "Helpers/MemDebug.hpp" 9 12 10 13 GLMoleculeView::GLMoleculeView(QWidget *parent) : -
src/UIElements/Views/QT4/QTMoleculeView.cpp
r61951b rbbbad5 6 6 */ 7 7 8 8 9 #include "Views/QT4/QTMoleculeView.hpp" 9 10 10 11 #include <iostream> 12 13 #include "Helpers/MemDebug.hpp" 14 11 15 #include "molecule.hpp" 12 13 16 14 17 using namespace std; -
src/UIElements/Views/QT4/QTStatusBar.cpp
r61951b rbbbad5 5 5 * Author: crueger 6 6 */ 7 7 8 8 9 #include <sstream> … … 13 14 14 15 #include "QTStatusBar.hpp" 16 17 #include "Helpers/MemDebug.hpp" 18 15 19 #include "World.hpp" 16 20 #include "Helpers/helpers.hpp" -
src/UIElements/Views/QT4/QTWorldView.cpp
r61951b rbbbad5 6 6 */ 7 7 8 8 9 #include "Views/QT4/QTWorldView.hpp" 9 10 10 11 #include <iostream> 12 13 #include "Helpers/MemDebug.hpp" 11 14 12 15 #include "atom.hpp" -
src/defs.cpp
r61951b rbbbad5 5 5 * Author: heber 6 6 */ 7 8 #include "Helpers/MemDebug.hpp" 7 9 8 10 #include "defs.hpp" -
src/molecule_geometry.cpp
r61951b rbbbad5 9 9 #include <config.h> 10 10 #endif 11 #include "Helpers/MemDebug.hpp" 11 12 12 13 #include "Helpers/helpers.hpp" 13 14 #include "Helpers/Log.hpp" 14 #include "Helpers/MemDebug.hpp"15 15 #include "Helpers/Verbose.hpp" 16 16 #include "LinearAlgebra/Line.hpp" -
src/periodentafel.cpp
r61951b rbbbad5 5 5 */ 6 6 7 7 8 #include "Helpers/MemDebug.hpp" 8 9 using namespace std;10 9 11 10 #include <iomanip>
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