#
# ChangeLog for src/Jobs/MPQCJob.cpp
#
# Generated by Trac 1.4.4
# Apr 11, 2025, 9:58:59 PM

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 ...


Thu, 08 Nov 2012 13:13:19 GMT Frederik Heber <heber@…> [6ca578]
	* src/Actions/FragmentationAction/FragmentationAutomationAction.cpp (modified)
	* src/Jobs/MPQCJob.cpp (modified)
	* src/UIElements/Makefile.am (modified)

	Simple use of OrthogonalSummation in FragmentationAutomationAction.
 ...


Mon, 29 Oct 2012 09:09:56 GMT Frederik Heber <heber@…> [4bc75d]
	* src/Actions/FragmentationAction/FragmentationAutomationAction.cpp (modified)
	* src/Jobs/MPQCCommandJob.hpp (modified)
	* src/Jobs/MPQCData.cpp (moved)
	* src/Jobs/MPQCData.hpp (moved)
	* src/Jobs/MPQCJob.cpp (modified)
	* src/Jobs/Makefile.am (modified)
	* src/Jobs/unittests/MPQCDataUnitTest.cpp (modified)
	* src/controller_MPQCCommandJob.cpp (modified)

	Renamed files MPQCCommandJob_MPQCData -> MPQCData.


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 ...