#
# ChangeLog for src/Fragmentation/KeySetsContainer.hpp
#
# Generated by Trac 1.4.4
# Mar 17, 2025, 9:26:52 AM

Mon, 15 Apr 2013 10:28:22 GMT Frederik Heber <heber@…> [ac9ca4]
	* configure.ac (modified)
	* src/Actions/FragmentationAction/FragmentationAction.cpp (modified)
	* src/Actions/FragmentationAction/FragmentationAction.def (modified)
	* src/Actions/FragmentationAction/FragmentationAutomationAction.cpp (modified)
	* src/Actions/FragmentationAction/FragmentationAutomationAction.def (modified)
	* src/Actions/FragmentationAction/StoreSaturatedFragmentAction.def (modified)
	* src/Fragmentation/Automation/FragmentJobQueue.cpp (added)
	* src/Fragmentation/Automation/FragmentJobQueue.hpp (added)
	* src/Fragmentation/Automation/MPQCFragmentController.cpp (modified)
	* src/Fragmentation/Automation/MPQCFragmentController.hpp (modified)
	* src/Fragmentation/Automation/Makefile.am (modified)
	* src/Fragmentation/Exporters/ExportGraph.cpp (modified)
	* src/Fragmentation/Exporters/ExportGraph.hpp (modified)
	* src/Fragmentation/Exporters/ExportGraph_ToFiles.cpp (modified)
	* src/Fragmentation/Exporters/ExportGraph_ToJobs.cpp (modified)
	* src/Fragmentation/Exporters/ExportGraph_ToJobs.hpp (modified)
	* src/Fragmentation/KeySetsContainer.cpp (modified)
	* src/Fragmentation/KeySetsContainer.hpp (modified)
	* src/Fragmentation/Makefile.am (modified)

	FragmentAction creates FragmentJobs if no output-types are given.

	- ...


Fri, 16 Nov 2012 14:03:40 GMT Frederik Heber <heber@…> [8b58ac]
	* src/Actions/FragmentationAction/FragmentationAutomationAction.cpp (modified)
	* src/Fragmentation/KeySetsContainer.cpp (modified)
	* src/Fragmentation/KeySetsContainer.hpp (modified)
	* src/Fragmentation/analyzer.cpp (modified)
	* src/Fragmentation/joiner.cpp (modified)
	* src/controller_MPQCCommandJob.cpp (modified)

	KeySetsContainer::ParseKeySets() may now parse arbitrary files.

	- ...


Tue, 18 Oct 2011 15:42:54 GMT Frederik Heber <heber@…> [942906]
	* configure.ac (modified)
	* src/Fragmentation/KeySetsContainer.hpp (modified)
	* src/Fragmentation/MatrixContainer.hpp (modified)

	Added serialize() template functions to MatrixContainer and ...


Tue, 18 Oct 2011 08:07:56 GMT Frederik Heber <heber@…> [1b145f]
	* src/Fragmentation/KeySetsContainer.cpp (modified)
	* src/Fragmentation/KeySetsContainer.hpp (modified)
	* src/Fragmentation/MatrixContainer.cpp (modified)
	* src/Fragmentation/MatrixContainer.hpp (modified)
	* src/Fragmentation/unittests/KeySetsContainerUnitTest.cpp (modified)
	* src/Fragmentation/unittests/KeySetsContainerUnitTest.hpp (modified)
	* src/Fragmentation/unittests/Makefile.am (modified)
	* src/Fragmentation/unittests/MatrixContainerUnitTest.cpp (modified)
	* src/Fragmentation/unittests/MatrixContainerUnitTest.hpp (modified)

	Added operator==() to KeySetsContainer and MatrixContainer.

	- also ...


Tue, 18 Oct 2011 08:07:37 GMT Frederik Heber <heber@…> [9758f7]
	* src/Fragmentation/EnergyMatrix.cpp (modified)
	* src/Fragmentation/ForceMatrix.cpp (modified)
	* src/Fragmentation/HessianMatrix.cpp (modified)
	* src/Fragmentation/KeySetsContainer.cpp (modified)
	* src/Fragmentation/KeySetsContainer.hpp (modified)
	* src/Fragmentation/MatrixContainer.cpp (modified)
	* src/Fragmentation/MatrixContainer.hpp (modified)

	Removed C arrays in KeySetsContainer and MatrixContainer.

	- ...


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 ...