#
# ChangeLog for src/Jobs/VMGJob.hpp
#
# Generated by Trac 1.4.4
# Mar 31, 2025, 10:56:52 PM

Mon, 10 Dec 2012 10:10:56 GMT Frederik Heber <heber@…> [065574]
	* src/Actions/FragmentationAction/FragmentationAutomationAction.cpp (modified)
	* src/Actions/FragmentationAction/FragmentationAutomationAction.def (modified)
	* src/Fragmentation/Automation/MPQCFragmentController.cpp (modified)
	* src/Fragmentation/Automation/MPQCFragmentController.hpp (modified)
	* src/Fragmentation/Automation/VMGFragmentController.cpp (modified)
	* src/Fragmentation/Automation/VMGFragmentController.hpp (modified)
	* src/Jobs/VMGJob.cpp (modified)
	* src/Jobs/VMGJob.hpp (modified)
	* tests/Python/AllActions/options.dat (modified)

	Added level and near_field_cells as options to ...


Fri, 16 Nov 2012 14:13:47 GMT Frederik Heber <heber@…> [2bc560]
	* src/Jobs/InterfaceVMGJob.cpp (modified)
	* src/Jobs/InterfaceVMGJob.hpp (modified)
	* src/Jobs/Makefile.am (modified)
	* src/Jobs/VMGData.cpp (added)
	* src/Jobs/VMGData.hpp (added)
	* src/Jobs/VMGJob.cpp (modified)
	* src/Jobs/VMGJob.hpp (modified)

	Added VMGData as container for data returned from VMGJob::Work().


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@…> [442cee]
	* src/Jobs/InterfaceVMGJob.cpp (modified)
	* src/Jobs/InterfaceVMGJob.hpp (modified)
	* src/Jobs/VMGJob.cpp (modified)
	* src/Jobs/VMGJob.hpp (modified)

	Added potential_grid as output SamplingGrid to VMGJob 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 ...


Tue, 13 Nov 2012 11:11:38 GMT Frederik Heber <heber@…> [e9cfc4]
	* src/Jobs/InterfaceVMGJob.cpp (added)
	* src/Jobs/InterfaceVMGJob.hpp (added)
	* src/Jobs/Makefile.am (modified)
	* src/Jobs/VMGJob.cpp (modified)
	* src/Jobs/VMGJob.hpp (modified)

	Added rudimentarily complete structure of interface to VMG and VMGJob ...


Tue, 13 Nov 2012 10:23:13 GMT Frederik Heber <heber@…> [d2a0f6d]
	* configure.ac (modified)
	* src/Jobs/Makefile.am (modified)
	* src/Jobs/VMGJob.cpp (added)
	* src/Jobs/VMGJob.hpp (added)

	VMGJob can now be conditionally compiled in via --with-vmg.

	- ...