#
# ChangeLog for src/Jobs/MPQCData.hpp
#
# Generated by Trac 1.4.4
# Jan 7, 2025, 5:24:03 PM

Thu, 15 Nov 2012 15:12:54 GMT Frederik Heber <heber@…> [cd77fc]
	* src/Actions/FragmentationAction/FragmentationAutomationAction.cpp (modified)
	* src/Jobs/InterfaceVMGJob.cpp (modified)
	* src/Jobs/InterfaceVMGJob.hpp (modified)
	* src/Jobs/MPQCData.hpp (modified)
	* src/Jobs/VMGJob.cpp (modified)
	* src/Jobs/VMGJob.hpp (modified)

	Positions and charges of nuclei are also contained in MPQCData and ...


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 ...


Wed, 14 Nov 2012 10:01:57 GMT Frederik Heber <heber@…> [815f60]
	* src/Jobs/MPQCData.hpp (modified)

	Added density to MPQCData.


Mon, 12 Nov 2012 16:04:53 GMT Frederik Heber <heber@…> [adccae]
	* src/Actions/FragmentationAction/FragmentationAutomationAction.cpp (modified)
	* src/Jobs/MPQCData.cpp (modified)
	* src/Jobs/MPQCData.hpp (modified)
	* src/Jobs/MPQCDataFused.hpp (modified)
	* src/Jobs/MPQCDataMap.hpp (modified)
	* src/Jobs/MPQCData_printName.hpp (modified)

	Split MPQCData::energy_electron_repulsion into _coulomb and ...


Thu, 08 Nov 2012 13:13:19 GMT Frederik Heber <heber@…> [188639]
	* src/Jobs/MPQCData.hpp (modified)

	Added vector of eigenvalues to MPQCData.


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.