#
# ChangeLog for src/Fragmentation/Summation/Converter
#
# Generated by Trac 1.4.4
# Mar 19, 2025, 2:05:13 AM

Fri, 04 Nov 2016 09:37:49 GMT Frederik Heber <heber@…> [6829d2]
	* src/Fragmentation/Homology/unittests/HomologyContainerUnitTest.cpp (modified)
	* src/Fragmentation/Homology/unittests/stubs/FragmentStub.cpp (modified)
	* src/Fragmentation/Summation/Containers/MPQCData.cpp (modified)
	* src/Fragmentation/Summation/Containers/MPQCData.hpp (modified)
	* src/Fragmentation/Summation/Converter/DataConverter.hpp (modified)
	* src/Fragmentation/Summation/SetValues/Fragment.cpp (modified)
	* src/Fragmentation/Summation/SetValues/Fragment.hpp (modified)
	* src/Fragmentation/Summation/SetValues/unittests/FragmentUnitTest.cpp (modified)
	* src/Fragmentation/Summation/SetValues/unittests/FragmentUnitTest.hpp (modified)
	* tests/regression/Fragmentation/AnalyseFragmentationResults/testsuite-fragmentation-analyse-fragment-results.at (modified)
	* tests/regression/Fragmentation/ParseSaveFragmentResults/testsuite-fragmentation-parse-save-fragment-results.at (modified)
	* tests/regression/Potential/FitPartialCharges/testsuite-potential-fit-partial-charges.at (modified)
	* tests/regression/Potential/FitPotential/testsuite-potential-fit-potential.at (modified)

	MPQCData additionally stores the atomic number per nuclei.

	- in ...


Tue, 13 Oct 2015 20:12:54 GMT Frederik Heber <heber@…> [94db13]
	* src/Actions/FragmentationAction/AnalyseFragmentationResultsAction.cpp (modified)
	* src/Actions/FragmentationAction/FragmentationAutomationAction.cpp (modified)
	* src/Fragmentation/Summation/Containers/FragmentationLongRangeResults.cpp (modified)
	* src/Fragmentation/Summation/Containers/FragmentationLongRangeResults.hpp (modified)
	* src/Fragmentation/Summation/Containers/FragmentationShortRangeResults.cpp (modified)
	* src/Fragmentation/Summation/Containers/MPQCDataFused.hpp (modified)
	* src/Fragmentation/Summation/Containers/VMGData.cpp (modified)
	* src/Fragmentation/Summation/Containers/VMGData.hpp (modified)
	* src/Fragmentation/Summation/Containers/VMGDataFused.hpp (modified)
	* src/Fragmentation/Summation/Containers/VMGDataMap.hpp (modified)
	* src/Fragmentation/Summation/Containers/VMGData_printKeyNames.hpp (modified)
	* src/Fragmentation/Summation/Converter/DataConverter.hpp (modified)
	* src/Jobs/InterfaceVMGJob.cpp (modified)

	Again changes to obtain correct longrange forces, also forces are ...


Sun, 11 Oct 2015 07:11:15 GMT Frederik Heber <heber@…> [83a425]
	* src/Actions/FragmentationAction/AnalyseFragmentationResultsAction.cpp (modified)
	* src/Actions/FragmentationAction/FragmentationAutomationAction.cpp (modified)
	* src/Fragmentation/Summation/Containers/FragmentationLongRangeResults.cpp (modified)
	* src/Fragmentation/Summation/Containers/FragmentationLongRangeResults.hpp (modified)
	* src/Fragmentation/Summation/Containers/VMGDataMap.hpp (modified)
	* src/Fragmentation/Summation/Converter/DataConverter.hpp (modified)

	Split off sampled_potential im VMGDataMap_t into separate fusion ...


Wed, 20 Aug 2014 12:59:14 GMT Frederik Heber <heber@…> [3b35e7]
	* LinearAlgebra/src/LinearAlgebra/Makefile.am (modified)
	* LinearAlgebra/src/unittests/Makefile.am (modified)
	* configure.ac (modified)
	* m4/boost.m4 (modified)
	* m4/qwt.m4 (modified)
	* src/Fragmentation/Automation/Makefile.am (modified)
	* src/Fragmentation/Summation/Containers/Makefile.am (modified)
	* src/Fragmentation/Summation/Containers/unittests/Makefile.am (modified)
	* src/Fragmentation/Summation/Converter/Makefile.am (modified)
	* src/Fragmentation/Summation/Makefile.am (modified)
	* src/Fragmentation/Summation/SetValues/Makefile.am (modified)
	* src/Jobs/Makefile.am (modified)
	* src/Jobs/unittests/Makefile.am (modified)
	* src/Makefile.am (modified)
	* src/RandomNumbers/Makefile.am (modified)
	* src/RandomNumbers/unittests/Makefile.am (modified)
	* src/UIElements/Makefile.am (modified)
	* src/UIElements/Views/Qt4/Plotting/Makefile.am (modified)
	* src/unittests/Makefile.am (modified)
	* tests/JobMarket/Makefile.am (modified)

	Fixes due to update to Ubuntu 14.04.

	- subdir-objects is default ...


Sat, 16 Aug 2014 15:52:30 GMT Frederik Heber <heber@…> [98a293b]
	* src/Actions/FragmentationAction/FragmentationAction.cpp (modified)
	* src/Actions/FragmentationAction/StoreSaturatedFragmentAction.cpp (modified)
	* src/Fragmentation/Exporters/ExportGraph.cpp (modified)
	* src/Fragmentation/Exporters/ExportGraph.hpp (modified)
	* src/Fragmentation/Exporters/ExportGraph_ToFiles.cpp (modified)
	* src/Fragmentation/Exporters/ExportGraph_ToFiles.hpp (modified)
	* src/Fragmentation/Exporters/ExportGraph_ToJobs.cpp (modified)
	* src/Fragmentation/Exporters/ExportGraph_ToJobs.hpp (modified)
	* src/Fragmentation/Exporters/SaturatedFragment.cpp (modified)
	* src/Fragmentation/Exporters/SaturatedFragment.hpp (modified)
	* src/Fragmentation/Exporters/unittests/SaturatedFragmentUnitTest.cpp (modified)
	* src/Fragmentation/Summation/Converter/DataConverter.hpp (modified)

	SaturatedFragment can deal with a global saturation position map.

	- ...


Fri, 09 Aug 2013 14:20:37 GMT Frederik Heber <heber@…> [e355b31]
	* src/Actions/FragmentationAction/AnalyseFragmentationResultsAction.cpp (modified)
	* src/Actions/FragmentationAction/FragmentationAutomationAction.cpp (modified)
	* src/Fragmentation/Summation/Containers/VMGData.hpp (modified)
	* src/Fragmentation/Summation/Containers/VMGDataFused.hpp (modified)
	* src/Fragmentation/Summation/Containers/VMGDataMap.hpp (modified)
	* src/Fragmentation/Summation/Containers/VMGData_printKeyNames.hpp (modified)
	* src/Fragmentation/Summation/Converter/DataConverter.hpp (modified)
	* tests/regression/Fragmentation/AnalyseFragmentationResults/testsuite-fragmentation-analyse-fragment-results.at (modified)

	Added both_sampled_potential to VMGData, analogous to ...


Fri, 03 May 2013 09:46:45 GMT Frederik Heber <heber@…> [e2925fd]
	* src/Actions/FragmentationAction/AnalyseFragmentationResultsAction.cpp (modified)
	* src/Actions/FragmentationAction/FragmentationAutomationAction.cpp (modified)
	* src/Fragmentation/Automation/VMGFragmentController.cpp (modified)
	* src/Fragmentation/Automation/VMGFragmentController.hpp (modified)
	* src/Fragmentation/Summation/Containers/FragmentationLongRangeResults.cpp (modified)
	* src/Fragmentation/Summation/Containers/VMGData.cpp (modified)
	* src/Fragmentation/Summation/Containers/VMGData.hpp (modified)
	* src/Fragmentation/Summation/Containers/VMGDataFused.hpp (modified)
	* src/Fragmentation/Summation/Containers/VMGDataMap.hpp (modified)
	* src/Fragmentation/Summation/Containers/VMGData_printKeyNames.hpp (modified)
	* src/Fragmentation/Summation/Converter/DataConverter.hpp (modified)
	* src/Jobs/InterfaceVMGJob.cpp (modified)
	* src/Jobs/InterfaceVMGJob.hpp (modified)
	* src/Jobs/VMGJob.cpp (modified)
	* src/Jobs/VMGJob.hpp (modified)
	* tests/regression/Fragmentation/AnalyseFragmentationResults/post/LongRange/BondFragment_Eigenhistogram.dat (moved)
	* tests/regression/Fragmentation/AnalyseFragmentationResults/post/LongRange/BondFragment_Eigenvalues.dat (moved)
	* tests/regression/Fragmentation/AnalyseFragmentationResults/post/LongRange/BondFragment_Energy.dat (moved)
	* tests/regression/Fragmentation/AnalyseFragmentationResults/post/LongRange/BondFragment_Forces.dat (moved)
	* tests/regression/Fragmentation/AnalyseFragmentationResults/post/LongRange/BondFragment_LongRangeEnergy.dat (added)
	* tests/regression/Fragmentation/AnalyseFragmentationResults/post/LongRange/BondFragment_Times.dat (added)
	* tests/regression/Fragmentation/AnalyseFragmentationResults/post/LongRange/BondFragment_VMGEnergy.dat (added)
	* tests/regression/Fragmentation/AnalyseFragmentationResults/post/ShortRange/BondFragment_Eigenhistogram.dat (added)
	* tests/regression/Fragmentation/AnalyseFragmentationResults/post/ShortRange/BondFragment_Eigenvalues.dat (added)
	* tests/regression/Fragmentation/AnalyseFragmentationResults/post/ShortRange/BondFragment_Energy.dat (added)
	* tests/regression/Fragmentation/AnalyseFragmentationResults/post/ShortRange/BondFragment_Forces.dat (added)
	* tests/regression/Fragmentation/AnalyseFragmentationResults/post/ShortRange/BondFragment_Times.dat (moved)
	* tests/regression/Fragmentation/AnalyseFragmentationResults/pre/BondFragmentLongRangeResults.dat (added)
	* tests/regression/Fragmentation/AnalyseFragmentationResults/pre/BondFragmentShortRangeResults.dat (moved)
	* tests/regression/Fragmentation/AnalyseFragmentationResults/testsuite-fragmentation-analyse-fragment-results.at (modified)

	Split long-range calculations into two parts to overcome ...


Tue, 16 Apr 2013 06:30:39 GMT Frederik Heber <heber@…> [214240]
	* src/Actions/Makefile.am (modified)
	* src/Analysis/Makefile.am (modified)
	* src/Atom/Makefile.am (modified)
	* src/Element/Makefile.am (modified)
	* src/Filling/Makefile.am (modified)
	* src/Fragmentation/Automation/Makefile.am (modified)
	* src/Fragmentation/Makefile.am (modified)
	* src/Fragmentation/Summation/Containers/Makefile.am (modified)
	* src/Fragmentation/Summation/Converter/Makefile.am (modified)
	* src/Fragmentation/Summation/Makefile.am (modified)
	* src/Fragmentation/Summation/SetValues/Makefile.am (modified)
	* src/FunctionApproximation/Makefile.am (modified)
	* src/Graph/Makefile.am (modified)
	* src/Helpers/Makefile.am (modified)
	* src/LinkedCell/Makefile.am (modified)
	* src/Parameters/Makefile.am (modified)
	* src/Parser/Makefile.am (modified)
	* src/Potentials/Makefile.am (modified)
	* src/RandomNumbers/Makefile.am (modified)
	* src/Shapes/Makefile.am (modified)
	* src/UIElements/Makefile.am (modified)

	FIX: Most of the includedirs were wrongly set.

	- each just needs to ...


Mon, 15 Apr 2013 18:13:36 GMT Frederik Heber <heber@…> [5c867e]
	* src/Actions/FragmentationAction/AnalyseFragmentationResultsAction.cpp (modified)
	* src/Fragmentation/Summation/Containers/FragmentationChargeDensity.cpp (modified)
	* src/Fragmentation/Summation/Containers/MPQCDataFused.hpp (modified)
	* src/Fragmentation/Summation/Containers/MPQCDataMap.hpp (modified)
	* src/Fragmentation/Summation/Containers/MPQCData_printKeyNames.hpp (modified)
	* src/Fragmentation/Summation/Converter/DataConverter.hpp (modified)
	* src/Fragmentation/Summation/SetValues/Eigenvalues.cpp (added)
	* src/Fragmentation/Summation/SetValues/Eigenvalues.hpp (added)
	* src/Fragmentation/Summation/SetValues/Histogram.hpp (modified)
	* src/Fragmentation/Summation/SetValues/Makefile.am (modified)
	* tests/regression/Fragmentation/AnalyseFragmentationResults/post/BondFragment_Eigenhistogram.dat (added)
	* tests/regression/Fragmentation/AnalyseFragmentationResults/post/BondFragment_Eigenvalues.dat (modified)
	* tests/regression/Fragmentation/AnalyseFragmentationResults/testsuite-fragmentation-analyse-fragment-results.at (modified)

	Added new SetValue Eigenvalues to just add up the set of eigenvalues. ...


Mon, 15 Apr 2013 18:13:22 GMT Frederik Heber <heber@…> [fbf143]
	* src/Actions/FragmentationAction/FragmentationAutomationAction.cpp (modified)
	* src/Fragmentation/Automation/FragmentJobQueue.cpp (modified)
	* src/Fragmentation/Automation/FragmentJobQueue.hpp (modified)
	* src/Fragmentation/Automation/MPQCFragmentController.hpp (modified)
	* src/Fragmentation/Automation/VMGDebugGridFragmentController.hpp (modified)
	* src/Fragmentation/Automation/VMGFragmentController.hpp (modified)
	* src/Fragmentation/Homology/HomologyContainer.hpp (modified)
	* src/Fragmentation/Homology/unittests/stubs/FragmentStub.cpp (modified)
	* src/Fragmentation/Makefile.am (modified)
	* src/Fragmentation/SetValues/unittests/Makefile.am (deleted)
	* src/Fragmentation/Summation/Containers/FragmentationChargeDensity.cpp (moved)
	* src/Fragmentation/Summation/Containers/FragmentationChargeDensity.hpp (moved)
	* src/Fragmentation/Summation/Containers/FragmentationLongRangeResults.cpp (moved)
	* src/Fragmentation/Summation/Containers/FragmentationLongRangeResults.hpp (moved)
	* src/Fragmentation/Summation/Containers/FragmentationShortRangeResults.cpp (moved)
	* src/Fragmentation/Summation/Containers/FragmentationShortRangeResults.hpp (moved)
	* src/Fragmentation/Summation/Containers/MPQCData.cpp (moved)
	* src/Fragmentation/Summation/Containers/MPQCData.hpp (moved)
	* src/Fragmentation/Summation/Containers/MPQCDataFused.hpp (moved)
	* src/Fragmentation/Summation/Containers/MPQCDataMap.hpp (moved)
	* src/Fragmentation/Summation/Containers/MPQCData_printKeyNames.hpp (moved)
	* src/Fragmentation/Summation/Containers/Makefile.am (moved)
	* src/Fragmentation/Summation/Containers/VMGData.cpp (moved)
	* src/Fragmentation/Summation/Containers/VMGData.hpp (moved)
	* src/Fragmentation/Summation/Containers/VMGDataFused.hpp (moved)
	* src/Fragmentation/Summation/Containers/VMGDataMap.hpp (moved)
	* src/Fragmentation/Summation/Containers/VMGData_printKeyNames.hpp (moved)
	* src/Fragmentation/Summation/Containers/createMatrixNrLookup.cpp (moved)
	* src/Fragmentation/Summation/Containers/createMatrixNrLookup.hpp (moved)
	* src/Fragmentation/Summation/Containers/extractJobIds.hpp (moved)
	* src/Fragmentation/Summation/Containers/unittests/MPQCDataUnitTest.cpp (moved)
	* src/Fragmentation/Summation/Containers/unittests/MPQCDataUnitTest.hpp (moved)
	* src/Fragmentation/Summation/Containers/unittests/Makefile.am (moved)
	* src/Fragmentation/Summation/Converter/DataConverter.hpp (moved)
	* src/Fragmentation/Summation/Converter/Makefile.am (moved)
	* src/Fragmentation/Summation/Makefile.am (modified)
	* src/Fragmentation/Summation/OrthogonalSumUpPerLevel.hpp (modified)
	* src/Fragmentation/Summation/OrthogonalSummator.hpp (modified)
	* src/Fragmentation/Summation/SetValues/Fragment.cpp (moved)
	* src/Fragmentation/Summation/SetValues/Fragment.hpp (moved)
	* src/Fragmentation/Summation/SetValues/Histogram.cpp (moved)
	* src/Fragmentation/Summation/SetValues/Histogram.hpp (moved)
	* src/Fragmentation/Summation/SetValues/IndexedVectors.cpp (moved)
	* src/Fragmentation/Summation/SetValues/IndexedVectors.hpp (moved)
	* src/Fragmentation/Summation/SetValues/Makefile.am (moved)
	* src/Fragmentation/Summation/SetValues/SamplingGrid.cpp (moved)
	* src/Fragmentation/Summation/SetValues/SamplingGrid.hpp (moved)
	* src/Fragmentation/Summation/SetValues/SamplingGridProperties.cpp (moved)
	* src/Fragmentation/Summation/SetValues/SamplingGridProperties.hpp (moved)
	* src/Fragmentation/Summation/SetValues/SamplingGrid_inline.hpp (moved)
	* src/Fragmentation/Summation/SetValues/unittests/FragmentUnitTest.cpp (moved)
	* src/Fragmentation/Summation/SetValues/unittests/FragmentUnitTest.hpp (moved)
	* src/Fragmentation/Summation/SetValues/unittests/HistogramUnitTest.cpp (moved)
	* src/Fragmentation/Summation/SetValues/unittests/HistogramUnitTest.hpp (moved)
	* src/Fragmentation/Summation/SetValues/unittests/IndexedVectorsUnitTest.cpp (moved)
	* src/Fragmentation/Summation/SetValues/unittests/IndexedVectorsUnitTest.hpp (moved)
	* src/Fragmentation/Summation/SetValues/unittests/Makefile.am (added)
	* src/Fragmentation/Summation/SetValues/unittests/SamplingGridPropertiesUnitTest.cpp (moved)
	* src/Fragmentation/Summation/SetValues/unittests/SamplingGridPropertiesUnitTest.hpp (moved)
	* src/Fragmentation/Summation/SetValues/unittests/SamplingGridUnitTest.cpp (moved)
	* src/Fragmentation/Summation/SetValues/unittests/SamplingGridUnitTest.hpp (moved)
	* src/Fragmentation/Summation/SumUpPerLevel.hpp (modified)
	* src/Fragmentation/Summation/Summator.hpp (modified)
	* src/Fragmentation/parseKeySetFile.cpp (moved)
	* src/Fragmentation/parseKeySetFile.hpp (moved)
	* src/Fragmentation/unittests/Makefile.am (modified)
	* src/FunctionApproximation/Extractors.hpp (modified)
	* src/FunctionApproximation/TrainingData.cpp (modified)
	* src/Jobs/InterfaceVMGDebugGridJob.hpp (modified)
	* src/Jobs/InterfaceVMGJob.hpp (modified)
	* src/Jobs/MPQCCommandJob.hpp (modified)
	* src/Jobs/MPQCJob.hpp (modified)
	* src/Jobs/Makefile.am (modified)
	* src/Jobs/VMGDebugGridJob.hpp (modified)
	* src/Jobs/VMGJob.hpp (modified)
	* src/Jobs/WindowGrid_converter.cpp (modified)
	* src/LevMartester.cpp (modified)
	* src/Makefile.am (modified)
	* src/UIElements/Makefile.am (modified)
	* src/controller_MPQCCommandJob.cpp (modified)
	* src/unittests/Makefile.am (modified)

	Placed Containers, Converter, and SetValues as subfolders into ...