# # ChangeLog for src/Jobs/MPQCData.cpp # # Generated by Trac 1.4.4 # Mar 15, 2025, 8:01:00 PM Mon, 10 Dec 2012 10:10:57 GMT Frederik 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, 14 Nov 2012 10:02:51 GMT Frederik 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 ... Mon, 12 Nov 2012 16:04:53 GMT Frederik 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, 29 Oct 2012 09:09:56 GMT Frederik 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.