#
# ChangeLog for src/Dynamics/MinimiseConstrainedPotential.cpp
#
# Generated by Trac 1.4.4
# Apr 8, 2025, 8:26:36 PM

Mon, 17 Oct 2011 20:17:51 GMT Frederik Heber <heber@…> [a9b86d]
	* src/Dynamics/LinearInterpolationBetweenSteps.hpp (modified)
	* src/Dynamics/MinimiseConstrainedPotential.cpp (modified)
	* src/Dynamics/VerletForceIntegration.hpp (modified)
	* src/Fragmentation/EnergyMatrix.cpp (added)
	* src/Fragmentation/EnergyMatrix.hpp (added)
	* src/Fragmentation/ForceMatrix.cpp (added)
	* src/Fragmentation/ForceMatrix.hpp (added)
	* src/Fragmentation/HessianMatrix.cpp (added)
	* src/Fragmentation/HessianMatrix.hpp (added)
	* src/Fragmentation/KeySetsContainer.cpp (added)
	* src/Fragmentation/KeySetsContainer.hpp (added)
	* src/Fragmentation/Makefile.am (added)
	* src/Fragmentation/MatrixContainer.cpp (added)
	* src/Fragmentation/MatrixContainer.hpp (added)
	* src/Fragmentation/analyzer.cpp (modified)
	* src/Fragmentation/datacreator.cpp (modified)
	* src/Fragmentation/defs.hpp (added)
	* src/Fragmentation/helpers.cpp (added)
	* src/Fragmentation/helpers.hpp (added)
	* src/Fragmentation/joiner.cpp (modified)
	* src/Fragmentation/parser.cpp (deleted)
	* src/Fragmentation/parser.hpp (deleted)
	* src/Graph/BondGraph.cpp (modified)
	* src/Makefile.am (modified)
	* src/UIElements/Makefile.am (modified)
	* src/atom.cpp (modified)
	* src/atom_atominfo.cpp (modified)

	Split up modules parser.[ch]pp into one module per class.

	- fixed ...


Mon, 17 Oct 2011 16:18:54 GMT Frederik Heber <heber@…> [3bdb6d]
	* src/Actions/AnalysisAction/DipoleAngularCorrelationAction.cpp (modified)
	* src/Actions/AnalysisAction/PairCorrelationAction.cpp (modified)
	* src/Actions/AnalysisAction/PointCorrelationAction.cpp (modified)
	* src/Actions/AnalysisAction/PrincipalAxisSystemAction.cpp (modified)
	* src/Actions/AnalysisAction/SurfaceCorrelationAction.cpp (modified)
	* src/Actions/AtomAction/AddAction.cpp (modified)
	* src/Actions/AtomAction/ChangeElementAction.cpp (modified)
	* src/Actions/CommandAction/ElementDbAction.cpp (modified)
	* src/Actions/MoleculeAction/RotateToPrincipalAxisSystemAction.cpp (modified)
	* src/Actions/SelectionAction/Atoms/AtomByElementAction.cpp (modified)
	* src/Actions/SelectionAction/Atoms/NotAtomByElementAction.cpp (modified)
	* src/Actions/ValueStorage.cpp (modified)
	* src/Analysis/analysis_bonds.cpp (modified)
	* src/Analysis/analysis_correlation.cpp (modified)
	* src/Analysis/unittests/AnalysisBondsUnitTest.cpp (modified)
	* src/Analysis/unittests/AnalysisCorrelationToPointUnitTest.cpp (modified)
	* src/Analysis/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified)
	* src/Analysis/unittests/AnalysisPairCorrelationUnitTest.cpp (modified)
	* src/Analysis/unittests/CountBondsUnitTest.cpp (modified)
	* src/AtomicInfo.cpp (modified)
	* src/Bond/bond.cpp (modified)
	* src/Descriptors/AtomTypeDescriptor.cpp (modified)
	* src/Dynamics/MinimiseConstrainedPotential.cpp (modified)
	* src/Element/Hbondangle.db (moved)
	* src/Element/Hbonddistance.db (moved)
	* src/Element/Makefile.am (added)
	* src/Element/element.cpp (moved)
	* src/Element/element.hpp (moved)
	* src/Element/elements.db (moved)
	* src/Element/elements_db.cpp (moved)
	* src/Element/elements_db.hpp (moved)
	* src/Element/orbitals.db (moved)
	* src/Element/periodentafel.cpp (moved)
	* src/Element/periodentafel.hpp (moved)
	* src/Element/valence.db (moved)
	* src/Formula.cpp (modified)
	* src/Fragmentation/analyzer.cpp (modified)
	* src/Fragmentation/joiner.cpp (modified)
	* src/Graph/BondGraph.cpp (modified)
	* src/Graph/BondGraph.hpp (modified)
	* src/Graph/CyclicStructureAnalysis.cpp (modified)
	* src/Graph/unittests/BondGraphUnitTest.cpp (modified)
	* src/Makefile.am (modified)
	* src/Parser/MpqcParser.cpp (modified)
	* src/Parser/PcpParser.cpp (modified)
	* src/Parser/PdbParser.cpp (modified)
	* src/Parser/TremoloParser.cpp (modified)
	* src/Parser/XyzParser.cpp (modified)
	* src/Parser/unittests/ParserMpqcUnitTest.cpp (modified)
	* src/Parser/unittests/ParserPcpUnitTest.cpp (modified)
	* src/Parser/unittests/ParserPdbUnitTest.cpp (modified)
	* src/Parser/unittests/ParserTremoloUnitTest.cpp (modified)
	* src/Parser/unittests/ParserXyzUnitTest.cpp (modified)
	* src/Tesselation/boundary.cpp (modified)
	* src/Thermostats/Berendsen.cpp (modified)
	* src/Thermostats/GaussianThermostat.cpp (modified)
	* src/Thermostats/Langevin.cpp (modified)
	* src/Thermostats/NoseHoover.cpp (modified)
	* src/Thermostats/Woodcock.cpp (modified)
	* src/UIElements/CommandLineUI/Query/ElementCommandLineQuery.cpp (modified)
	* src/UIElements/CommandLineUI/Query/ElementsCommandLineQuery.cpp (modified)
	* src/UIElements/CommandLineUI/TypeEnumContainer.cpp (modified)
	* src/UIElements/Makefile.am (modified)
	* src/UIElements/Qt4/Pipe/ElementQtQueryPipe.cpp (modified)
	* src/UIElements/Qt4/Pipe/ElementsQtQueryPipe.cpp (modified)
	* src/UIElements/Qt4/Query/ElementQtQuery.cpp (modified)
	* src/UIElements/Qt4/Query/ElementsQtQuery.cpp (modified)
	* src/UIElements/TextUI/Query/ElementTextQuery.cpp (modified)
	* src/UIElements/TextUI/Query/ElementsTextQuery.cpp (modified)
	* src/UIElements/TextUI/TextWindow.cpp (modified)
	* src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject.cpp (modified)
	* src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_atom.cpp (modified)
	* src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_bond.cpp (modified)
	* src/UIElements/Views/Qt4/Qt3D/GLWorldView.cpp (modified)
	* src/World.cpp (modified)
	* src/atom.cpp (modified)
	* src/atom_atominfo.cpp (modified)
	* src/atom_bondedparticle.cpp (modified)
	* src/builder_init.cpp (modified)
	* src/config.cpp (modified)
	* src/molecule.cpp (modified)
	* src/molecule_fragmentation.cpp (modified)
	* src/molecule_geometry.cpp (modified)
	* src/molecule_graph.cpp (modified)
	* src/moleculelist.cpp (modified)
	* src/unittests/ElementUnitTest.cpp (modified)
	* src/unittests/LinkedCellUnitTest.cpp (modified)
	* src/unittests/ListOfBondsUnitTest.cpp (modified)
	* src/unittests/Makefile.am (modified)
	* src/unittests/PeriodentafelUnitTest.cpp (modified)

	Moved all stuff related to elements into own subfolder and has its ...


Thu, 13 Oct 2011 19:00:47 GMT Frederik Heber <heber@…> [bc28b0]
	* src/Dynamics/LinearInterpolationBetweenSteps.hpp (modified)
	* src/Dynamics/MinimiseConstrainedPotential.cpp (modified)
	* src/Dynamics/VerletForceIntegration.hpp (modified)
	* src/Fragmentation/analyzer.cpp (moved)
	* src/Fragmentation/datacreator.cpp (moved)
	* src/Fragmentation/datacreator.hpp (moved)
	* src/Fragmentation/joiner.cpp (moved)
	* src/Fragmentation/parser.cpp (moved)
	* src/Fragmentation/parser.hpp (moved)
	* src/Graph/BondGraph.cpp (modified)
	* src/Makefile.am (modified)
	* src/atom.cpp (modified)
	* src/atom_atominfo.cpp (modified)

	Moved modules associated with fragmentation into source subfolder ...


Wed, 06 Apr 2011 13:50:41 GMT Frederik Heber <heber@…> [255829]
	* configure.ac (modified)
	* src/BoundaryPolygonSet.cpp (modified)
	* src/ConfigFileBuffer.cpp (modified)
	* src/Dynamics/MinimiseConstrainedPotential.cpp (modified)
	* src/Dynamics/OutputTemperature.hpp (modified)
	* src/Dynamics/VerletForceIntegration.hpp (modified)
	* src/Formula.hpp (modified)
	* src/Graph/CheckAgainstAdjacencyFile.cpp (modified)
	* src/Helpers/Makefile.am (deleted)
	* src/Helpers/defs.hpp (modified)
	* src/Helpers/helpers.cpp (deleted)
	* src/Helpers/helpers.hpp (modified)
	* src/Makefile.am (modified)
	* src/Parser/unittests/ParserPcpUnitTest.cpp (modified)
	* src/Parser/unittests/ParserPdbUnitTest.cpp (modified)
	* src/Parser/unittests/ParserXyzUnitTest.cpp (modified)
	* src/Shapes/unittests/Makefile.am (modified)
	* src/Thermostats/Berendsen.cpp (modified)
	* src/Thermostats/GaussianThermostat.cpp (modified)
	* src/Thermostats/Langevin.cpp (modified)
	* src/Thermostats/NoseHoover.cpp (modified)
	* src/Thermostats/Woodcock.cpp (modified)
	* src/UIElements/Views/Qt4/QtStatusBar.cpp (modified)
	* src/analysis_correlation.hpp (modified)
	* src/analyzer.cpp (modified)
	* src/atom.hpp (modified)
	* src/boundary.cpp (modified)
	* src/config.cpp (modified)
	* src/datacreator.cpp (modified)
	* src/joiner.cpp (modified)
	* src/linkedcell.cpp (modified)
	* src/molecule.cpp (modified)
	* src/molecule.hpp (modified)
	* src/molecule_geometry.cpp (modified)
	* src/molecule_graph.cpp (modified)
	* src/parser.cpp (modified)
	* src/periodentafel.cpp (modified)
	* src/tesselation.hpp (modified)
	* src/triangleintersectionlist.cpp (modified)
	* src/unittests/ListOfBondsUnitTest.cpp (modified)
	* src/unittests/Makefile.am (modified)
	* src/unittests/TesselationUnitTest.cpp (modified)
	* src/unittests/Tesselation_BoundaryTriangleUnitTest.cpp (modified)
	* src/unittests/Tesselation_InsideOutsideUnitTest.cpp (modified)

	Removed Helpers.hpp, deleted Helpers.cpp and libMoleCuilderHelpers.la ...


Tue, 01 Mar 2011 13:17:09 GMT Frederik Heber <heber@…> [e355762]
	* src/Dynamics/LinearInterpolationBetweenSteps.hpp (modified)
	* src/Dynamics/MinimiseConstrainedPotential.cpp (modified)
	* src/Dynamics/MinimiseConstrainedPotential.hpp (modified)
	* src/molecule_dynamics.cpp (modified)

	Rewrote MinimiseConstrainedPotential to just use std::map instead of ...


Tue, 01 Mar 2011 13:17:09 GMT Frederik Heber <heber@…> [9e23a3]
	* src/Dynamics/MinimiseConstrainedPotential.cpp (added)
	* src/Dynamics/MinimiseConstrainedPotential.hpp (added)
	* src/Makefile.am (modified)
	* src/molecule.hpp (modified)
	* src/molecule_dynamics.cpp (modified)

	Rewrote MinimiseConstrainedPotential into a functor in Dynamics/.

	- ...