#
# ChangeLog for src/boundary.cpp
#
# Generated by Trac 1.4.4
# Dec 28, 2024, 12:40:49 AM

Tue, 28 Jul 2009 10:33:53 GMT Frederik Heber <heber@…> [a567c3]
	* src/boundary.cpp (modified)
	* src/builder.cpp (modified)

	ConvexTesselation working again.

	- File was not written, as NULL ...


Mon, 27 Jul 2009 14:53:57 GMT Frederik Heber <heber@…> [fcc9b0]
	* src/boundary.cpp (modified)
	* src/molecules.cpp (modified)

	FIX: DetermineCenterOfAll() did point in wrong direction, convex ...


Mon, 27 Jul 2009 08:16:03 GMT Frederik Heber <heber@…> [d30402]
	* src/boundary.cpp (modified)
	* src/boundary.hpp (modified)
	* src/builder.cpp (modified)

	Split VolumeOfConvexEnvelope() into find_convex_border() and ...


Fri, 24 Jul 2009 10:38:32 GMT Frederik Heber <heber@…> [36ec71]
	* src/Makefile.am (modified)
	* src/analyzer.cpp (modified)
	* src/atom.cpp (modified)
	* src/bond.cpp (modified)
	* src/boundary.cpp (modified)
	* src/builder.cpp (modified)
	* src/config.cpp (modified)
	* src/datacreator.cpp (modified)
	* src/datacreator.hpp (modified)
	* src/defs.hpp (modified)
	* src/graph.cpp (modified)
	* src/graph.hpp (added)
	* src/joiner.cpp (modified)
	* src/moleculelist.cpp (modified)
	* src/molecules.cpp (modified)
	* src/molecules.hpp (modified)
	* src/parser.cpp (modified)
	* src/parser.hpp (modified)

	Merge branch 'master' into ConcaveHull

	Conflicts:

	        ...


Thu, 23 Jul 2009 14:21:57 GMT Frederik Heber <heber@…> [042f82]
	* src/analyzer.cpp (modified)
	* src/atom.cpp (modified)
	* src/bond.cpp (modified)
	* src/boundary.cpp (modified)
	* src/boundary.hpp (modified)
	* src/builder.cpp (modified)
	* src/config.cpp (modified)
	* src/datacreator.cpp (modified)
	* src/defs.hpp (modified)
	* src/element.cpp (modified)
	* src/ellipsoid.cpp (modified)
	* src/ellipsoid.hpp (modified)
	* src/helpers.cpp (modified)
	* src/helpers.hpp (modified)
	* src/joiner.cpp (modified)
	* src/linkedcell.cpp (modified)
	* src/linkedcell.hpp (modified)
	* src/moleculelist.cpp (modified)
	* src/molecules.cpp (modified)
	* src/molecules.hpp (modified)
	* src/parser.cpp (modified)
	* src/parser.hpp (modified)
	* src/periodentafel.cpp (modified)
	* src/periodentafel.hpp (modified)
	* src/stackclass.hpp (modified)
	* src/vector.cpp (modified)
	* src/vector.hpp (modified)
	* src/verbose.cpp (modified)

	fixed indentation from tabs to two spaces.


Thu, 23 Jul 2009 13:45:24 GMT Frederik Heber <heber@…> [d067d45]
	* src/#border.cpp# (deleted)
	* src/#makefile# (deleted)
	* src/#molecules.hpp# (deleted)
	* src/Makefile.am (modified)
	* src/analyzer.cpp (modified)
	* src/atom.cpp (modified)
	* src/boundary.cpp (modified)
	* src/boundary.hpp (modified)
	* src/builder.cpp (modified)
	* src/config.cpp (modified)
	* src/datacreator.cpp (modified)
	* src/datacreator.hpp (modified)
	* src/element.cpp (modified)
	* src/ellipsoid.cpp (added)
	* src/ellipsoid.hpp (added)
	* src/graph.cpp (modified)
	* src/helpers.cpp (modified)
	* src/helpers.hpp (modified)
	* src/joiner.cpp (modified)
	* src/linkedcell.cpp (added)
	* src/linkedcell.hpp (added)
	* src/moleculelist.cpp (modified)
	* src/molecules.cpp (modified)
	* src/molecules.hpp (modified)
	* src/parser.cpp (modified)
	* src/parser.hpp (modified)
	* src/periodentafel.hpp (modified)
	* src/stackclass.hpp (modified)
	* src/vector.cpp (modified)
	* src/vector.hpp (modified)
	* src/verbose.cpp (modified)

	Merge branch 'MultipleMolecules'

	Conflicts:

	        ...


Thu, 23 Jul 2009 12:32:48 GMT Frederik Heber <heber@…> [ce5ac3]
	* src/atom.cpp (modified)
	* src/bond.cpp (modified)
	* src/boundary.cpp (modified)
	* src/builder.cpp (modified)
	* src/config.cpp (modified)
	* src/datacreator.cpp (modified)
	* src/helpers.cpp (modified)
	* src/molecules.cpp (modified)
	* src/parser.cpp (modified)
	* src/vector.cpp (modified)
	* src/verbose.cpp (modified)

	Fix indentation from tabs to two spaces to prepare merging with ...


Thu, 23 Jul 2009 12:14:13 GMT Frederik Heber <heber@…> [437922]
	* src/analyzer.cpp (modified)
	* src/atom.cpp (modified)
	* src/bond.cpp (modified)
	* src/boundary.cpp (modified)
	* src/boundary.hpp (modified)
	* src/builder.cpp (modified)
	* src/config.cpp (modified)
	* src/datacreator.cpp (modified)
	* src/defs.hpp (modified)
	* src/joiner.cpp (modified)
	* src/moleculelist.cpp (modified)
	* src/molecules.cpp (modified)
	* src/molecules.hpp (modified)
	* src/parser.cpp (modified)
	* src/parser.hpp (modified)
	* src/periodentafel.cpp (modified)

	Fix indentation from tab to two spaces.

	The trouble was caused at ...


Thu, 23 Jul 2009 11:23:59 GMT Frederik Heber <heber@…> [631dcb]
	* src/Makefile.am (modified)
	* src/analyzer.cpp (modified)
	* src/atom.cpp (modified)
	* src/bond.cpp (modified)
	* src/boundary.cpp (modified)
	* src/builder.cpp (modified)
	* src/config.cpp (modified)
	* src/datacreator.cpp (modified)
	* src/defs.hpp (modified)
	* src/joiner.cpp (modified)
	* src/moleculelist.cpp (modified)
	* src/molecules.cpp (modified)
	* src/molecules.hpp (modified)

	Merge branch 'Thermostat'

	Conflicts:

	        .gitignore
	        ...


Fri, 10 Jul 2009 12:48:05 GMT Frederik Heber <heber@…> [21c017]
	* src/boundary.cpp (modified)
	* src/builder.cpp (modified)
	* src/molecules.cpp (modified)
	* src/molecules.hpp (modified)
	* src/vector.cpp (modified)
	* src/vector.hpp (modified)

	molecule::CenterInBox puts atoms now periodically into the given box, ...


Thu, 09 Jul 2009 13:33:39 GMT Frederik Heber <heber@…> [a37350]
	* src/boundary.cpp (modified)

	FIX: Now tries each of the axis direction to find a starting triangle ...


Thu, 09 Jul 2009 12:02:46 GMT Frederik Heber <heber@…> [8cede7]
	* src/boundary.cpp (modified)
	* src/linkedcell.cpp (modified)

	Lots of changes to the number of output messages.

	As the finding of ...


Thu, 09 Jul 2009 11:40:14 GMT Frederik Heber <heber@…> [b65901]
	* src/boundary.cpp (modified)

	Fixed all of the remaining memory leaks due to ...


Thu, 09 Jul 2009 10:38:34 GMT Frederik Heber <heber@…> [70c333f]
	* src/boundary.cpp (modified)
	* src/ellipsoid.cpp (modified)
	* src/ellipsoid.hpp (modified)

	fixed compiler warning by changing int to size_t because C++ STL ...


Thu, 09 Jul 2009 10:22:05 GMT Frederik Heber <heber@…> [542ab3]
	* src/boundary.cpp (modified)

	Removed unnecessary code

	- Choose_preferable_third_point()
	- ...


Thu, 09 Jul 2009 09:45:00 GMT Frederik Heber <heber@…> [86234b]
	* src/boundary.cpp (modified)
	* src/boundary.hpp (modified)

	BUGFIX: Memory leak due to special triangles and similar lines in ...


Tue, 07 Jul 2009 14:48:21 GMT Frederik Heber <heber@…> [018741]
	* src/boundary.cpp (modified)

	FIX: CheckLineCriteriaforDegeneratedTriangle contains criteria when ...


Tue, 07 Jul 2009 09:12:54 GMT Frederik Heber <heber@…> [f0ebac]
	* src/boundary.cpp (modified)

	BUGFIX: Initial edge for starting triangle may be up to TWICE the ...


Tue, 07 Jul 2009 08:11:47 GMT Frederik Heber <heber@…> [260b2f]
	* src/boundary.cpp (modified)
	* src/builder.cpp (modified)

	Cosmetical changes in Find_third_point_for_tesselation() and ...


Tue, 07 Jul 2009 06:49:32 GMT Frederik Heber <heber@…> [3d919e]
	* src/boundary.cpp (modified)
	* src/boundary.hpp (modified)
	* src/molecules.hpp (modified)

	All of Saskia Metzler's changes so far to remove bugs from ...


Fri, 10 Apr 2009 23:28:02 GMT Frederik Heber <heber@…> [09af1b]
	* src/analyzer.cpp (modified)
	* src/boundary.cpp (modified)
	* src/builder.cpp (modified)
	* src/ellipsoid.cpp (modified)

	removed lots of warnings due to unused variables

	This arose due to ...


Thu, 02 Apr 2009 16:42:53 GMT Frederik Heber <heber@…> [ca2587]
	* src/boundary.cpp (modified)
	* src/moleculelist.cpp (modified)
	* src/molecules.hpp (modified)

	Framework for embedding one molecule into another, now the embedding ...


Mon, 09 Feb 2009 17:24:10 GMT Frederik Heber <heber@…> [6ac7ee]
	* ChangeLog (modified)
	* Makefile.am (modified)
	* configure.ac (modified)
	* doc/Doxyfile (modified)
	* doc/Makefile.am (modified)
	* m4/ac_doxygen.m4 (modified)
	* m4/acx_compilerflags.m4 (modified)
	* src/.#border.cpp (deleted)
	* src/.#molecules.hpp (deleted)
	* src/Hbondangle.db (modified)
	* src/Hbonddistance.db (modified)
	* src/Makefile.am (modified)
	* src/analyzer.cpp (modified)
	* src/atom.cpp (modified)
	* src/bond.cpp (modified)
	* src/boundary.cpp (modified)
	* src/boundary.hpp (modified)
	* src/builder.cpp (modified)
	* src/config.cpp (modified)
	* src/datacreator.cpp (modified)
	* src/datacreator.hpp (modified)
	* src/defs.hpp (modified)
	* src/element.cpp (modified)
	* src/elements.db (modified)
	* src/ellipsoid.cpp (added)
	* src/ellipsoid.hpp (added)
	* src/graph.cpp (modified)
	* src/helpers.cpp (modified)
	* src/helpers.hpp (modified)
	* src/joiner.cpp (modified)
	* src/linkedcell.cpp (modified)
	* src/linkedcell.hpp (modified)
	* src/moleculelist.cpp (modified)
	* src/molecules.cpp (modified)
	* src/molecules.hpp (modified)
	* src/orbitals.db (modified)
	* src/parser.cpp (modified)
	* src/parser.hpp (modified)
	* src/periodentafel.cpp (modified)
	* src/periodentafel.hpp (modified)
	* src/stackclass.hpp (modified)
	* src/valence.db (modified)
	* src/vector.cpp (modified)
	* src/vector.hpp (modified)
	* src/verbose.cpp (modified)
	* tests/Makefile.am (modified)
	* tests/atlocal.in (modified)
	* tests/molecuilder.in (modified)
	* tests/testsuite.at (modified)

	Merge branch 'ConcaveHull' of ../espack2 into ConcaveHull
 ...


Fri, 06 Feb 2009 09:48:09 GMT Frederik Heber <heber@…> [124df1]
	* src/boundary.cpp (modified)

	Find_non_convex_border(): calls CreateAdjacencyList() to fill bond
	list


Mon, 29 Dec 2008 21:46:58 GMT Frederik Heber <heber@…> [cc2ee5]
	* ChangeLog (modified)
	* Makefile.am (modified)
	* configure.ac (modified)
	* doc/Doxyfile (modified)
	* doc/Makefile.am (modified)
	* m4/ac_doxygen.m4 (modified)
	* m4/acx_compilerflags.m4 (modified)
	* src/.#border.cpp (deleted)
	* src/.#molecules.hpp (deleted)
	* src/Hbondangle.db (modified)
	* src/Hbonddistance.db (modified)
	* src/Makefile.am (modified)
	* src/analyzer.cpp (modified)
	* src/atom.cpp (modified)
	* src/bond.cpp (modified)
	* src/boundary.cpp (modified)
	* src/boundary.hpp (modified)
	* src/builder.cpp (modified)
	* src/config.cpp (modified)
	* src/datacreator.cpp (modified)
	* src/datacreator.hpp (modified)
	* src/defs.hpp (modified)
	* src/element.cpp (modified)
	* src/elements.db (modified)
	* src/graph.cpp (modified)
	* src/helpers.cpp (modified)
	* src/helpers.hpp (modified)
	* src/joiner.cpp (modified)
	* src/moleculelist.cpp (modified)
	* src/molecules.cpp (modified)
	* src/molecules.hpp (modified)
	* src/orbitals.db (modified)
	* src/parser.cpp (modified)
	* src/parser.hpp (modified)
	* src/periodentafel.cpp (modified)
	* src/periodentafel.hpp (modified)
	* src/stackclass.hpp (modified)
	* src/valence.db (modified)
	* src/vector.cpp (modified)
	* src/vector.hpp (modified)
	* src/verbose.cpp (modified)
	* tests/Makefile.am (modified)
	* tests/atlocal.in (modified)
	* tests/molecuilder.in (modified)
	* tests/testsuite.at (modified)

	Just a temporary commit


Mon, 29 Dec 2008 12:29:21 GMT Frederik Heber <heber@…> [6d4a76]
	* src/boundary.cpp (modified)
	* src/vector.cpp (modified)
	* src/vector.hpp (modified)

	Merge branch 'ConcaveHull' of ...


Mon, 29 Dec 2008 12:25:04 GMT Frederik Heber <heber@…> [12298c]
	* src/#border.cpp# (deleted)
	* src/#makefile# (deleted)
	* src/#molecules.hpp# (deleted)
	* src/boundary.cpp (modified)
	* src/boundary.hpp (modified)
	* src/builder.cpp (modified)

	Now we also produce Raster3D output files additionally to TecPlot ...


Tue, 23 Dec 2008 13:28:05 GMT Christian Neuen <neuen@…> [23e09b]
	* src/boundary.cpp (modified)
	* src/vector.cpp (modified)
	* src/vector.hpp (modified)

	fancy commit


Tue, 23 Dec 2008 13:06:36 GMT Frederik Heber <heber@…> [02bfde]
	* src/boundary.cpp (modified)

	Merge branch 'ConcaveHull' of ...


Tue, 23 Dec 2008 11:22:57 GMT Frederik Heber <heber@…> [44fd95]
	* src/boundary.cpp (modified)
	* src/vector.cpp (modified)
	* src/vector.hpp (modified)

	Cleaned up all debugging output


Tue, 23 Dec 2008 11:21:29 GMT Christian Neuen <neuen@…> [196a5a]
	* src/boundary.cpp (modified)

	BallAngel enhanced, added new alternative direction for issues with ...


Fri, 19 Dec 2008 16:21:11 GMT Christian Neuen <neuen@…> [7c6712]
	* src/boundary.cpp (modified)

	Switched choice process to Ball angle completely.
	Problem remains. ...


Thu, 18 Dec 2008 17:21:34 GMT Christian Neuen <neuen@…> [e9fa06f]
	* src/boundary.cpp (modified)

	First change to Ball angle as criteria, however, change sucks.


Wed, 17 Dec 2008 15:56:07 GMT Christian Neuen <neuen@…> [10af0d]
	* src/boundary.cpp (modified)

	Solved possible problem with Second quadrant overhaul


Tue, 16 Dec 2008 18:39:28 GMT Christian Neuen <neuen@…> [e4ea46]
	* configure.ac (modified)
	* src/boundary.cpp (modified)
	* src/boundary.hpp (modified)
	* src/vector.cpp (modified)
	* src/vector.hpp (modified)

	Tesselation starts to look good, minor discrepancies are still there ...


Thu, 11 Dec 2008 15:23:01 GMT Christian Neuen <neuen@…> [caf5d6]
	* src/boundary.cpp (modified)
	* src/boundary.hpp (modified)
	* src/molecules.cpp (modified)

	Atom indices are now correctly processed.


Mon, 08 Dec 2008 14:16:34 GMT Christian Neuen <neuen@…> [f714979]
	* src/boundary.cpp (modified)
	* src/boundary.hpp (modified)
	* src/builder.cpp (modified)
	* src/molecules.cpp (modified)

	Another update w.r.t. the Tesselation.
	Some signs switched, but atom ...


Thu, 04 Dec 2008 15:15:00 GMT Christian Neuen <neuen@…> [a8bcea6]
	* src/border.cpp (deleted)
	* src/boundary.cpp (modified)
	* src/boundary.hpp (modified)
	* src/builder.cpp (modified)

	several changes, now output is created, quality unknown


Wed, 03 Dec 2008 14:12:05 GMT Christian Neuen <neuen@…> [69eb71]
	* src/#border.cpp# (added)
	* src/#makefile# (added)
	* src/#molecules.hpp# (added)
	* src/.#border.cpp (added)
	* src/.#molecules.hpp (added)
	* src/TAGS (added)
	* src/boundary.cpp (modified)
	* src/boundary.hpp (modified)
	* src/molecules.cpp (modified)
	* src/molecules.hpp (modified)
	* src/vector.cpp (modified)

	Multiple changes to boundary, currently not fully operational. ...


Thu, 27 Nov 2008 09:55:08 GMT Christian Neuen <neuen@…> [03648b]
	* src/border.cpp (modified)
	* src/boundary.cpp (modified)
	* src/boundary.hpp (modified)
	* src/vector.cpp (modified)
	* src/vector.hpp (modified)

	In vector a function for calculation of the vector-(cross-)product ...


Sat, 18 Oct 2008 14:03:57 GMT Frederik Heber <heber@…> [450d63]
	* src/boundary.cpp (modified)
	* src/boundary.hpp (modified)
	* src/builder.cpp (modified)

	VolumeOfConvexEnvelope() has new parameter with tecplot ofstream and ...


Tue, 14 Oct 2008 19:14:10 GMT Frederik Heber <heber@…> [2b4a40]
	* src/boundary.cpp (modified)

	new version of Tesselation::GuessStartingTriangle() seems to fix ...


Tue, 14 Oct 2008 13:26:02 GMT Frederik Heber <heber@…> [ca8073]
	* src/boundary.cpp (modified)

	BUGFIX: Tesselation::AddPoint() always increased ...


Fri, 05 Sep 2008 17:02:18 GMT Frederik Heber <heber@…> [ed060e]
	* src/boundary.cpp (modified)
	* src/boundary.hpp (modified)
	* src/molecules.hpp (modified)

	moved all definitions from boundary.hpp to molecules.hpp, and renamed ...


Wed, 06 Aug 2008 09:02:01 GMT Frederik Heber <heber@…> [e9b8bb]
	* src/boundary.cpp (modified)
	* src/boundary.hpp (modified)
	* src/builder.cpp (modified)
	* src/moleculelist.cpp (modified)
	* src/molecules.cpp (modified)
	* src/molecules.hpp (modified)
	* src/vector.cpp (modified)
	* src/vector.hpp (modified)

	Rename of class vector to Vector to avoid conflict with vector from
	STL.


Fri, 27 Jun 2008 21:14:58 GMT Frederik Heber <heber@…> [68cb0f]
	* src/Makefile.am (modified)
	* src/analyzer.cpp (modified)
	* src/boundary.cpp (modified)
	* src/builder.cpp (modified)
	* src/defs.hpp (modified)
	* src/element.cpp (modified)
	* src/joiner.cpp (modified)
	* src/molecules.hpp (modified)
	* src/parser.cpp (modified)
	* src/parser.hpp (modified)
	* src/periodentafel.cpp (modified)
	* src/periodentafel.hpp (added)

	introduced shieldings to analyzer and joiner

	both now handle ...


Fri, 13 Jun 2008 14:26:50 GMT Frederik Heber <heber@…> [edb650]
	* src/boundary.cpp (modified)
	* src/boundary.hpp (modified)
	* src/builder.cpp (modified)

	some mor changes to fine-tune the cluster generation.

	Sadly, ...


Fri, 13 Jun 2008 09:18:57 GMT Frederik Heber <heber@…> [318bfd]
	* src/boundary.cpp (modified)
	* src/boundary.hpp (modified)
	* src/builder.cpp (modified)

	Final touches for Create Clusters in water

	repetition in ...


Thu, 12 Jun 2008 19:34:36 GMT Frederik Heber <heber@…> [6c5812]
	* src/boundary.cpp (modified)
	* src/boundary.hpp (modified)
	* src/builder.cpp (modified)

	Smaller fixes

	CreateClustersinWater is now PrepareClustersinWater ...


Thu, 12 Jun 2008 19:13:43 GMT Frederik Heber <heber@…> [8eb17a]
	* src/boundary.cpp (added)
	* src/boundary.hpp (added)
	* src/periodentafel.cpp (modified)

	StorePeriodentafel(): BUGFIX - there still was elements.db instead of ...