#
# ChangeLog for src/Actions/FragmentationAction/FragmentationAutomationAction.def
#
# Generated by Trac 1.6
# Jun 22, 2025, 3:15:24 AM

Wed, 12 Jul 2017 19:12:43 GMT Frederik Heber <frederik.heber@…> [4c6f0d]
	* src/Actions/FragmentationAction/FragmentationAutomationAction.def (modified)
	* tests/GuiChecks/Fragmentation/FragmentationAutomation/testsuite-fragmentation-fragmentation-automation.at (modified)
	* tests/regression/Fragmentation/FragmentationAutomation/testsuite-fragmentation-fragmentation-automation.at (modified)

	FIX: server-port was invalid.

	- now, we use empty string as param ...


Wed, 14 Sep 2016 18:43:53 GMT Frederik Heber <heber@…> [703369]
	* src/Actions/FragmentationAction/FragmentationAutomationAction.def (modified)

	FIX: FragmentationAutomation limited nfc to 20 and grid to 10 ...


Wed, 14 Sep 2016 18:42:53 GMT Frederik Heber <heber@…> [4a3df8]
	* src/Actions/FragmentationAction/FragmentationAction.cpp (modified)
	* src/Actions/FragmentationAction/FragmentationAction.def (modified)
	* src/Actions/FragmentationAction/FragmentationAutomationAction.cpp (modified)
	* src/Actions/FragmentationAction/FragmentationAutomationAction.def (modified)
	* tests/Python/AllActions/options.dat (modified)

	Fragmentation.. and ..AutomationAction accept a desired maximum mesh- ...


Fri, 09 Sep 2016 17:23:11 GMT Frederik Heber <heber@…> [d20335]
	* src/Actions/FragmentationAction/AnalyseFragmentationResultsAction.cpp (modified)
	* src/Actions/FragmentationAction/AnalyseFragmentationResultsAction.def (modified)
	* src/Actions/FragmentationAction/FragmentationAutomationAction.cpp (modified)
	* src/Actions/FragmentationAction/FragmentationAutomationAction.def (modified)
	* tests/Python/AllActions/options.dat (modified)
	* tests/regression/Fragmentation/AnalyseFragmentationResults/testsuite-fragmentation-analyse-fragment-results.at (modified)

	Removed parsing and saving of fragment results in analyse-fragment- ...


Fri, 09 Sep 2016 17:10:10 GMT Frederik Heber <heber@…> [ce0f63]
	* src/Actions/FragmentationAction/FragmentationAutomationAction.def (modified)

	FIX: Clarified hint for FragmentationAutomationAction's resultfile.


Sat, 07 May 2016 07:05:19 GMT Frederik Heber <heber@…> [666e9e]
	* src/Actions/FragmentationAction/AnalyseFragmentationResultsAction.cpp (modified)
	* src/Actions/FragmentationAction/AnalyseFragmentationResultsAction.def (modified)
	* src/Actions/FragmentationAction/FragmentationAutomationAction.cpp (modified)
	* src/Actions/FragmentationAction/FragmentationAutomationAction.def (modified)
	* src/Fragmentation/Automation/VMGFragmentController.cpp (modified)
	* src/Fragmentation/Automation/VMGFragmentController.hpp (modified)
	* tests/Python/AllActions/options.dat (modified)

	VMGFragmentController and FragmentationAutomationAction accept ...


Tue, 13 Oct 2015 20:14:33 GMT Frederik Heber <heber@…> [17e4fd]
	* src/Actions/FragmentationAction/FragmentationAutomationAction.cpp (modified)
	* src/Actions/FragmentationAction/FragmentationAutomationAction.def (modified)
	* src/Fragmentation/Automation/VMGFragmentController.cpp (modified)
	* src/Fragmentation/Automation/VMGFragmentController.hpp (modified)
	* src/Fragmentation/Interfragmenter.cpp (modified)
	* src/Jobs/InterfaceVMGJob.cpp (modified)
	* src/Jobs/InterfaceVMGJob.hpp (modified)
	* src/Jobs/VMGJob.cpp (modified)
	* src/Jobs/VMGJob.hpp (modified)
	* src/Jobs/WindowGrid_converter.cpp (modified)
	* src/Jobs/WindowGrid_converter.hpp (modified)
	* tests/Python/AllActions/options.dat (modified)

	Added new option DoSmearElectronicCharges to ...


Tue, 29 Apr 2014 12:42:44 GMT Frederik Heber <heber@…> [c09f94]
	* src/Actions/Action_impl_header.hpp (modified)
	* src/Actions/Action_impl_pre.hpp (modified)
	* src/Actions/Calculation_impl.hpp (modified)
	* src/Actions/FragmentationAction/FragmentationAction.def (modified)
	* src/Actions/FragmentationAction/FragmentationAutomationAction.cpp (modified)
	* src/Actions/FragmentationAction/FragmentationAutomationAction.def (modified)
	* src/Actions/FragmentationAction/FragmentationAutomationAction.hpp (modified)
	* src/Actions/ManipulateAtomsProcess.cpp (modified)
	* src/Actions/Process.cpp (modified)
	* src/Actions/Process.hpp (modified)

	Transformed FragmentationAutomationAction into a Process.

	- Removed ...


Wed, 01 May 2013 07:53:26 GMT Frederik Heber <heber@…> [b6b21a]
	* src/Actions/FragmentationAction/FragmentationAutomationAction.cpp (modified)
	* src/Actions/FragmentationAction/FragmentationAutomationAction.def (modified)
	* src/Fragmentation/Automation/VMGFragmentController.cpp (modified)
	* src/Fragmentation/Automation/VMGFragmentController.hpp (modified)
	* src/Jobs/InterfaceVMGJob.cpp (modified)
	* src/Jobs/InterfaceVMGJob.hpp (modified)
	* src/Jobs/VMGJob.cpp (modified)
	* src/Jobs/VMGJob.hpp (modified)
	* tests/Python/AllActions/options.dat (modified)

	Added option DoPrintDebug to FragmentationAutomationAction.

	- this ...


Wed, 01 May 2013 07:52:55 GMT Frederik Heber <heber@…> [6ff62c]
	* src/Actions/FragmentationAction/FragmentationAutomationAction.cpp (modified)
	* src/Actions/FragmentationAction/FragmentationAutomationAction.def (modified)
	* src/Fragmentation/Automation/MPQCFragmentController.cpp (modified)
	* src/Fragmentation/Automation/MPQCFragmentController.hpp (modified)
	* src/Fragmentation/Automation/VMGFragmentController.cpp (modified)
	* src/Fragmentation/Automation/VMGFragmentController.hpp (modified)
	* src/Fragmentation/Summation/Containers/MPQCData.cpp (modified)
	* src/Fragmentation/Summation/Containers/MPQCData.hpp (modified)
	* src/Jobs/MPQCJob.hpp (modified)
	* tests/Python/AllActions/options.dat (modified)
	* tests/regression/Fragmentation/AnalyseFragmentationResults/post/BondFragment_Eigenhistogram.dat (modified)
	* tests/regression/Fragmentation/AnalyseFragmentationResults/post/BondFragment_Eigenvalues.dat (modified)
	* tests/regression/Fragmentation/AnalyseFragmentationResults/post/BondFragment_Energy.dat (modified)
	* tests/regression/Fragmentation/AnalyseFragmentationResults/post/BondFragment_Forces.dat (modified)
	* tests/regression/Fragmentation/AnalyseFragmentationResults/post/BondFragment_Times.dat (modified)
	* tests/regression/Fragmentation/AnalyseFragmentationResults/pre/BondFragmentResults.dat (modified)
	* tests/regression/Fragmentation/AnalyseFragmentationResults/pre/alkane-3.pdb (added)
	* tests/regression/Fragmentation/AnalyseFragmentationResults/testsuite-fragmentation-analyse-fragment-results.at (modified)

	Added DoValenceOnly has new option to FragmentationAutomationAction.
 ...


Mon, 15 Apr 2013 18:13:22 GMT Frederik Heber <heber@…> [55e1bc]
	* src/Actions/FragmentationAction/AnalyseFragmentationResultsAction.cpp (modified)
	* src/Actions/FragmentationAction/AnalyseFragmentationResultsAction.def (modified)
	* src/Actions/FragmentationAction/FragmentationAutomationAction.cpp (modified)
	* src/Actions/FragmentationAction/FragmentationAutomationAction.def (modified)
	* src/Fragmentation/Summation/Containers/FragmentationResultContainer.hpp (modified)
	* tests/Python/AllActions/options.dat (modified)
	* tests/regression/Fragmentation/AnalyseFragmentationResults/post/BondFragment_Energy.dat (added)
	* tests/regression/Fragmentation/AnalyseFragmentationResults/post/BondFragment_Forces.dat (added)
	* tests/regression/Fragmentation/AnalyseFragmentationResults/post/BondFragment_Times.dat (added)
	* tests/regression/Fragmentation/AnalyseFragmentationResults/pre/BondFragmentResults.dat (added)
	* tests/regression/Fragmentation/AnalyseFragmentationResults/testsuite-fragmentation-analyse-fragment-results.at (added)
	* tests/regression/Fragmentation/testsuite-fragmentation.at (modified)
	* tests/regression/Makefile.am (modified)

	FragmentationResultContainer is serializable.

	- ...


Mon, 15 Apr 2013 18:13:22 GMT Frederik Heber <heber@…> [a3427f]
	* src/Actions/FragmentationAction/AnalyseFragmentationResultsAction.cpp (added)
	* src/Actions/FragmentationAction/AnalyseFragmentationResultsAction.def (added)
	* src/Actions/FragmentationAction/AnalyseFragmentationResultsAction.hpp (added)
	* src/Actions/FragmentationAction/FragmentationAutomationAction.cpp (modified)
	* src/Actions/FragmentationAction/FragmentationAutomationAction.def (modified)
	* src/Actions/GlobalListOfActions.hpp (modified)
	* src/Actions/Makefile.am (modified)
	* src/Fragmentation/Summation/Containers/FragmentationResultContainer.cpp (added)
	* src/Fragmentation/Summation/Containers/FragmentationResultContainer.hpp (added)
	* src/Fragmentation/Summation/Containers/Makefile.am (modified)

	Split FragmentationAutomationAction into calculation and analysis.
 ...


Mon, 15 Apr 2013 10:28:25 GMT Frederik Heber <heber@…> [bae7bc]
	* src/Actions/FragmentationAction/FragmentationAction.cpp (modified)
	* src/Actions/FragmentationAction/FragmentationAutomationAction.cpp (modified)
	* src/Actions/FragmentationAction/FragmentationAutomationAction.def (modified)
	* src/Actions/FragmentationAction/ParseFragmentJobsAction.cpp (added)
	* src/Actions/FragmentationAction/ParseFragmentJobsAction.def (added)
	* src/Actions/FragmentationAction/ParseFragmentJobsAction.hpp (added)
	* src/Actions/GlobalListOfActions.hpp (modified)
	* src/Actions/Makefile.am (modified)
	* src/Fragmentation/Automation/FragmentJobQueue.cpp (modified)
	* src/Fragmentation/Automation/FragmentJobQueue.hpp (modified)
	* src/Fragmentation/Automation/FragmentationChargeDensity.cpp (modified)
	* src/Fragmentation/Automation/FragmentationChargeDensity.hpp (modified)
	* src/Fragmentation/Automation/FragmentationResults.cpp (modified)
	* src/Fragmentation/Automation/FragmentationResults.hpp (modified)

	Outsourced parsing of fragment files into ParseFragmentJobsAction ...


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, 14 Dec 2012 17:39:40 GMT Frederik Heber <heber@…> [240c3e]
	* src/Actions/FragmentationAction/FragmentationAutomationAction.cpp (modified)
	* src/Actions/FragmentationAction/FragmentationAutomationAction.def (modified)
	* tests/Python/AllActions/options.dat (modified)

	FragmentationAutomationAction now uses a file containing a serialized ...


Mon, 10 Dec 2012 10:11:00 GMT Frederik Heber <heber@…> [cd2591]
	* src/Actions/FragmentationAction/FragmentationAutomationAction.cpp (modified)
	* src/Actions/FragmentationAction/FragmentationAutomationAction.def (modified)
	* src/Fragmentation/Automation/VMGFragmentController.cpp (modified)
	* src/Fragmentation/Automation/VMGFragmentController.hpp (modified)
	* src/Jobs/VMGJob.cpp (modified)
	* src/Jobs/VMGJob.hpp (modified)
	* tests/Python/AllActions/options.dat (modified)

	Added interpolation-degree as parameter to ...


Mon, 10 Dec 2012 10:10:56 GMT Frederik Heber <heber@…> [065574]
	* src/Actions/FragmentationAction/FragmentationAutomationAction.cpp (modified)
	* src/Actions/FragmentationAction/FragmentationAutomationAction.def (modified)
	* src/Fragmentation/Automation/MPQCFragmentController.cpp (modified)
	* src/Fragmentation/Automation/MPQCFragmentController.hpp (modified)
	* src/Fragmentation/Automation/VMGFragmentController.cpp (modified)
	* src/Fragmentation/Automation/VMGFragmentController.hpp (modified)
	* src/Jobs/VMGJob.cpp (modified)
	* src/Jobs/VMGJob.hpp (modified)
	* tests/Python/AllActions/options.dat (modified)

	Added level and near_field_cells as options to ...


Wed, 14 Nov 2012 10:01:46 GMT Frederik Heber <heber@…> [69c733]
	* configure.ac (modified)
	* src/Actions/FragmentationAction/FragmentationAutomationAction.cpp (modified)
	* src/Actions/FragmentationAction/FragmentationAutomationAction.def (modified)
	* tests/Python/AllActions/options.dat (modified)

	Added second part to FragmentationAutomationAction that calculates ...


Wed, 11 Jul 2012 13:02:17 GMT Frederik Heber <heber@…> [bd81f9]
	* configure.ac (modified)
	* m4/ax_jobmarket.m4 (added)
	* src/Actions/FragmentationAction/FragmentationAutomationAction.cpp (added)
	* src/Actions/FragmentationAction/FragmentationAutomationAction.def (added)
	* src/Actions/FragmentationAction/FragmentationAutomationAction.hpp (added)
	* src/Actions/GlobalListOfActions.hpp (modified)
	* src/Actions/Makefile.am (modified)
	* src/Actions/unittests/stubs/DummyUI.hpp (modified)
	* src/Atom/atom_observable.cpp (modified)
	* src/ControllerOptions_MPQCCommandJob.cpp (added)
	* src/ControllerOptions_MPQCCommandJob.hpp (added)
	* src/Fragmentation/MatrixContainer.cpp (modified)
	* src/Fragmentation/MatrixContainer.hpp (modified)
	* src/Jobs/MPQCCommandJob.cpp (added)
	* src/Jobs/MPQCCommandJob.hpp (added)
	* src/Jobs/MPQCCommandJob_MPQCData.cpp (added)
	* src/Jobs/MPQCCommandJob_MPQCData.hpp (added)
	* src/Jobs/Makefile.am (added)
	* src/Jobs/unittests/MPQCCommandJobUnitTest.cpp (added)
	* src/Jobs/unittests/MPQCCommandJobUnitTest.hpp (added)
	* src/Jobs/unittests/MPQCDataUnitTest.cpp (added)
	* src/Jobs/unittests/MPQCDataUnitTest.hpp (added)
	* src/Jobs/unittests/Makefile.am (added)
	* src/Makefile.am (modified)
	* src/Server.cpp (added)
	* src/Tesselation/unittests/Tesselation_BoundaryTriangleUnitTest.cpp (modified)
	* src/Tesselation/unittests/Tesselation_BoundaryTriangleUnitTest.hpp (modified)
	* src/UIElements/CommandLineUI/CommandLineDialog.cpp (modified)
	* src/UIElements/CommandLineUI/CommandLineDialog.hpp (modified)
	* src/UIElements/CommandLineUI/Query/CommandLineQuery.hpp (modified)
	* src/UIElements/CommandLineUI/Query/FilesCommandLineQuery.cpp (added)
	* src/UIElements/Dialog.cpp (modified)
	* src/UIElements/Dialog.hpp (modified)
	* src/UIElements/Makefile.am (modified)
	* src/UIElements/Qt4/QtDialog.cpp (modified)
	* src/UIElements/Qt4/QtDialog.hpp (modified)
	* src/UIElements/Qt4/Query/FilesQtQuery.cpp (added)
	* src/UIElements/Qt4/Query/QtQuery.hpp (modified)
	* src/UIElements/Query/FilesQuery.cpp (added)
	* src/UIElements/TextUI/Query/FileTextQuery.cpp (modified)
	* src/UIElements/TextUI/Query/FilesTextQuery.cpp (added)
	* src/UIElements/TextUI/Query/TextQuery.hpp (modified)
	* src/UIElements/TextUI/TextDialog.cpp (modified)
	* src/UIElements/TextUI/TextDialog.hpp (modified)
	* src/controller.cpp (added)
	* src/controller_AddOn_MPQCCommandJob.cpp (added)
	* src/controller_MPQCCommandJob.cpp (added)
	* src/controller_MPQCCommandJob.hpp (added)
	* src/poolworker.cpp (added)
	* src/unittests/Makefile.am (modified)
	* tests/CodeChecks/Makefile.am (modified)
	* tests/CodeChecks/testsuite-globallistofactions_hpp.at (modified)
	* tests/Fragmentations/Makefile.am (modified)
	* tests/JobMarket/Makefile.am (added)
	* tests/JobMarket/atlocal.in (added)
	* tests/JobMarket/molecuilder.in (added)
	* tests/JobMarket/mpqc.cpp (added)
	* tests/JobMarket/pre/BondFragment00.in (added)
	* tests/JobMarket/pre/BondFragment00.out (added)
	* tests/JobMarket/pre/BondFragment01.out (added)
	* tests/JobMarket/pre/BondFragment02.out (added)
	* tests/JobMarket/pre/BondFragment03.out (added)
	* tests/JobMarket/pre/BondFragment04.out (added)
	* tests/JobMarket/pre/BondFragment05.out (added)
	* tests/JobMarket/pre/BondFragment06.out (added)
	* tests/JobMarket/pre/BondFragmentAdjacency.dat (added)
	* tests/JobMarket/pre/BondFragmentForces-Factors.dat (added)
	* tests/JobMarket/pre/BondFragmentKeySets.dat (added)
	* tests/JobMarket/testsuite-jobmarket-molecuilderrun.at (added)
	* tests/JobMarket/testsuite-jobmarket-mpqc-jobs.at (added)
	* tests/JobMarket/testsuite-jobmarket-stand-in-mpqc.at (added)
	* tests/JobMarket/testsuite-jobmarket.at (added)
	* tests/JobMarket/testsuite.at (added)
	* tests/Makefile.am (modified)
	* tests/Python/AllActions/options.dat (modified)
	* tests/Python/Makefile.am (modified)
	* tests/Tesselations/Makefile.am (modified)
	* tests/regression/Fragmentation/testsuite-fragmentation.at (modified)
	* tests/regression/Makefile.am (modified)

	Merge branch 'Candidate_v1.3.0' into stable

	Conflicts:
	        ...


Fri, 06 Jul 2012 10:18:48 GMT Frederik Heber <heber@…> [edecba]
	* src/Actions/FragmentationAction/FragmentationAutomationAction.cpp (added)
	* src/Actions/FragmentationAction/FragmentationAutomationAction.def (added)
	* src/Actions/FragmentationAction/FragmentationAutomationAction.hpp (added)
	* src/Actions/GlobalListOfActions.hpp (modified)
	* src/Actions/Makefile.am (modified)
	* src/UIElements/Makefile.am (modified)
	* tests/Python/AllActions/options.dat (modified)
	* tests/regression/Fragmentation/Automation/testsuite-fragmentation-automation-molecuilderrun.at (added)
	* tests/regression/Fragmentation/testsuite-fragmentation.at (modified)
	* tests/regression/Makefile.am (modified)

	Added Action to use the JobMarket for FragmentationAutomation.

	- ...


