#
# ChangeLog for src/Jobs/MPQCJob.hpp
#
# Generated by Trac 1.4.4
# Jan 4, 2025, 12:38:15 AM

Thu, 14 Feb 2013 13:29:24 GMT Frederik Heber <heber@…> [3d9a8d]
	* src/Fragmentation/Automation/MPQCFragmentController.cpp (modified)
	* src/Jobs/Grid/SamplingGrid.cpp (modified)
	* src/Jobs/Grid/SamplingGrid.hpp (modified)
	* src/Jobs/Grid/SamplingGridProperties.cpp (modified)
	* src/Jobs/Grid/SamplingGridProperties.hpp (modified)
	* src/Jobs/Grid/unittests/Makefile.am (modified)
	* src/Jobs/Grid/unittests/SamplingGridPropertiesUnitTest.cpp (modified)
	* src/Jobs/Grid/unittests/SamplingGridUnitTest.cpp (modified)
	* src/Jobs/Grid/unittests/SamplingGridUnitTest.hpp (modified)
	* src/Jobs/MPQCJob.cpp (modified)
	* src/Jobs/MPQCJob.hpp (modified)
	* src/Jobs/MPQCJob_binding.hpp (modified)
	* src/Jobs/VMGDebugGridJob.cpp (modified)
	* src/Jobs/VMGJob.cpp (modified)

	SamplingGrid has no more size parameter but an end array.

	- this ...


Wed, 14 Nov 2012 10:02:51 GMT Frederik Heber <heber@…> [28c025]
	* src/Actions/FragmentationAction/FragmentationAutomationAction.cpp (modified)
	* src/Jobs/Grid/SamplingGrid.cpp (added)
	* src/Jobs/Grid/SamplingGrid.hpp (added)
	* src/Jobs/Grid/SamplingGridProperties.cpp (added)
	* src/Jobs/Grid/SamplingGridProperties.hpp (added)
	* src/Jobs/MPQCData.cpp (modified)
	* src/Jobs/MPQCData.hpp (modified)
	* src/Jobs/MPQCJob.cpp (modified)
	* src/Jobs/MPQCJob.hpp (modified)
	* src/Jobs/Makefile.am (modified)
	* src/Jobs/VMGJob.cpp (modified)
	* src/Jobs/VMGJob.hpp (modified)

	Added SamplingGrid and SamplingGridProperties to contain information ...


Wed, 14 Nov 2012 10:02:51 GMT Frederik Heber <heber@…> [d12d621]
	* src/Actions/FragmentationAction/FragmentationAutomationAction.cpp (modified)
	* src/Jobs/InterfaceVMGJob.cpp (modified)
	* src/Jobs/InterfaceVMGJob.hpp (modified)
	* src/Jobs/MPQCData.hpp (modified)
	* src/Jobs/MPQCJob.cpp (modified)
	* src/Jobs/MPQCJob.hpp (modified)
	* src/Jobs/VMGJob.cpp (modified)
	* src/Jobs/VMGJob.hpp (modified)

	VMGJob, MPQCJob, and MPQCData now contain information how to sample ...


Fri, 26 Oct 2012 15:54:07 GMT Frederik Heber <heber@…> [a9558f]
	* src/Actions/FragmentationAction/FragmentationAutomationAction.cpp (modified)
	* src/Jobs/MPQCCommandJob.cpp (modified)
	* src/Jobs/MPQCCommandJob_MPQCData.cpp (modified)
	* src/Jobs/MPQCCommandJob_MPQCData.hpp (modified)
	* src/Jobs/MPQCJob.cpp (modified)
	* src/Jobs/MPQCJob.hpp (modified)
	* src/Jobs/unittests/MPQCCommandJobUnitTest.cpp (modified)
	* src/Jobs/unittests/MPQCDataUnitTest.cpp (modified)
	* src/controller_MPQCCommandJob.cpp (modified)

	Restructured MPQCData, added times, and nuclear repulsion energy.

	- ...


Fri, 26 Oct 2012 15:54:07 GMT Frederik Heber <heber@…> [28e894]
	* src/Actions/FragmentationAction/FragmentationAutomationAction.cpp (modified)
	* src/Jobs/MPQCJob.cpp (added)
	* src/Jobs/MPQCJob.hpp (added)
	* src/Jobs/Makefile.am (modified)
	* tests/JobMarket/testsuite-jobmarket-molecuilderrun.at (modified)

	FragmentationAutomationAction now creates MPQCJobs.

	- MPQCJobs are ...