#
# ChangeLog for src/Jobs/MPQCDataMap.hpp
#
# Generated by Trac 1.4.4
# Mar 15, 2025, 6:50:43 PM

Mon, 10 Dec 2012 10:10:57 GMT Frederik Heber <heber@…> [4aee30]
	* src/Actions/FragmentationAction/FragmentationAutomationAction.cpp (modified)
	* src/Fragmentation/Converter/DataConverter.hpp (modified)
	* src/Jobs/MPQCData.cpp (modified)
	* src/Jobs/MPQCData.hpp (modified)
	* src/Jobs/MPQCDataFused.hpp (modified)
	* src/Jobs/MPQCDataMap.hpp (modified)
	* src/Jobs/MPQCData_printKeyNames.hpp (modified)

	Timings of MPQCJob are now gathered for total and for the gathering ...


Wed, 21 Nov 2012 10:03:24 GMT Frederik Heber <heber@…> [184943]
	* src/Actions/FragmentationAction/FragmentationAutomationAction.cpp (modified)
	* src/Fragmentation/SetValues/Fragment.cpp (modified)
	* src/Fragmentation/SetValues/Fragment.hpp (modified)
	* src/Jobs/MPQCDataFused.hpp (modified)
	* src/Jobs/MPQCDataMap.hpp (modified)

	Added Fragment to MPQCData fusion maps and is used in ...


Thu, 15 Nov 2012 14:52:20 GMT Frederik Heber <heber@…> [c37c20]
	* src/Actions/FragmentationAction/FragmentationAutomationAction.cpp (modified)
	* src/Jobs/MPQCDataFused.hpp (modified)
	* src/Jobs/MPQCDataMap.hpp (modified)
	* src/Jobs/MPQCData_printKeyNames.hpp (modified)

	Added SamplingGrid summation to FragmentationAutomationAction.

	- ...


Mon, 12 Nov 2012 16:04:54 GMT Frederik Heber <heber@…> [e13990b]
	* src/Actions/FragmentationAction/FragmentationAutomationAction.cpp (modified)
	* src/Jobs/MPQCDataMap.hpp (modified)

	FragmentationAutomationAction now also sums up the forces from each ...


Mon, 12 Nov 2012 16:04:54 GMT Frederik Heber <heber@…> [dde8ec]
	* src/Actions/FragmentationAction/FragmentationAutomationAction.cpp (modified)
	* src/Fragmentation/Histogram/Histogram.cpp (modified)
	* src/Fragmentation/Histogram/Histogram.hpp (modified)
	* src/Jobs/MPQCDataMap.hpp (modified)

	Histograms are now summed up, too.

	- added Histogram cstor that ...


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 ...


Mon, 12 Nov 2012 16:04:51 GMT Frederik Heber <heber@…> [8cae4c]
	* src/Actions/FragmentationAction/FragmentationAutomationAction.cpp (modified)
	* src/Jobs/MPQCDataFused.hpp (modified)
	* src/Jobs/MPQCDataMap.hpp (modified)
	* src/Jobs/MPQCData_printName.hpp (added)
	* src/Jobs/Makefile.am (modified)

	FragmentationAutomationAction now may sum up almost everything.

	- ...


Sat, 10 Nov 2012 15:57:58 GMT Frederik Heber <heber@…> [56df37]
	* src/Actions/FragmentationAction/FragmentationAutomationAction.cpp (modified)
	* src/Fragmentation/Summation/Makefile.am (modified)
	* src/Fragmentation/Summation/Summator.hpp (added)
	* src/Jobs/MPQCDataFused.hpp (added)
	* src/Jobs/MPQCDataMap.hpp (added)
	* src/Jobs/Makefile.am (modified)

	Added general-purpose Summator that is basis for OrthogonalSummation ...