#
# ChangeLog for src/Jobs/InterfaceVMGJob.cpp
#
# Generated by Trac 1.4.4
# Mar 25, 2025, 9:33:04 AM

Fri, 15 Feb 2013 17:07:49 GMT Frederik Heber <heber@…> [b123a5]
	* src/Jobs/InterfaceVMGDebugGridJob.cpp (modified)
	* src/Jobs/InterfaceVMGDebugGridJob.hpp (modified)
	* src/Jobs/InterfaceVMGJob.cpp (modified)
	* src/Jobs/InterfaceVMGJob.hpp (modified)
	* src/Jobs/Makefile.am (modified)
	* src/Jobs/VMGDebugGridJob.cpp (modified)
	* src/Jobs/WindowGrid_converter.cpp (added)
	* src/Jobs/WindowGrid_converter.hpp (added)

	Shifted functions to add window onto grid into own namespace.

	- ...


Fri, 15 Feb 2013 17:07:31 GMT Frederik Heber <heber@…> [8f3cdd]
	* src/Jobs/Grid/SamplingGrid.hpp (modified)
	* src/Jobs/InterfaceVMGJob.cpp (modified)
	* src/Jobs/InterfaceVMGJob.hpp (modified)
	* src/Jobs/VMGJob.cpp (modified)

	Adapted VMGJob and its Interface to new non-zero window use.

	- we ...


Fri, 14 Dec 2012 17:39:52 GMT Frederik Heber <heber@…> [6d084a4]
	* src/Jobs/InterfaceVMGJob.cpp (modified)

	DEBUG: InterfaceVMGJob does not printGrids anymore.

	- output folder ...


Mon, 10 Dec 2012 10:10:59 GMT Frederik Heber <heber@…> [a82602]
	* src/Jobs/InterfaceVMGJob.cpp (modified)
	* src/Jobs/VMGJob.cpp (modified)
	* src/Jobs/VMGJob.hpp (modified)

	InterfaceVMGJob now also calculates nuclei interaction energy.

	- ...


Mon, 10 Dec 2012 10:10:56 GMT Frederik Heber <heber@…> [0990e1]
	* src/Jobs/InterfaceVMGJob.cpp (modified)
	* src/Jobs/VMGJob.cpp (modified)

	FIX: MemDebug needs to come after VMG stuff, otherwise we run into ...


Fri, 16 Nov 2012 14:13:47 GMT Frederik Heber <heber@…> [a1436b]
	* src/Jobs/InterfaceVMGJob.cpp (modified)

	Printing now four grids for debugging in InterfaceVMG.

	- also ...


Fri, 16 Nov 2012 14:13:47 GMT Frederik Heber <heber@…> [17fcbe7]
	* src/Jobs/InterfaceVMGJob.cpp (modified)

	FIX: Correcting normalization in InterfaceVMGJob among others.

	- ...


Fri, 16 Nov 2012 14:13:47 GMT Frederik Heber <heber@…> [08cc62]
	* src/Jobs/InterfaceVMGJob.cpp (modified)

	DEBUG: Modified printing of summed grid charge and grid potential.
 ...


Fri, 16 Nov 2012 14:13:47 GMT Frederik Heber <heber@…> [16b4fe]
	* src/Jobs/InterfaceVMGJob.cpp (modified)

	DEBUG: Added writing grids as VTK files to InterfaceVMGJob.

	- ...


Fri, 16 Nov 2012 14:13:47 GMT Frederik Heber <heber@…> [03d422a]
	* src/Jobs/InterfaceVMGJob.cpp (modified)

	Added a normalization to interpolation of charges onto particle_grid ...


Fri, 16 Nov 2012 14:13:47 GMT Frederik Heber <heber@…> [4adef7]
	* src/Actions/FragmentationAction/FragmentationAutomationAction.cpp (modified)
	* src/Jobs/InterfaceVMGJob.cpp (modified)

	Added some debugging output to FragmentationAutomationAction.


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@…> [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 10:01:51 GMT Frederik Heber <heber@…> [88c2c1]
	* src/Jobs/InterfaceVMGJob.cpp (modified)

	DEBUG: Added output of grid intervals and extent.


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 ...