#
# ChangeLog for molecuilder/src/molecule_geometry.cpp
#
# Generated by Trac 1.6
# Sep 23, 2025, 3:51:55 AM

Sat, 19 Dec 2009 19:31:34 GMT Frederik Heber <heber@…> [f78203]
	* molecuilder/src/analysis_correlation.cpp (modified)
	* molecuilder/src/builder.cpp (modified)
	* molecuilder/src/molecule_geometry.cpp (modified)

	Smaller fixes.

	- analysis_correlation.cpp: Info objects created at ...


Thu, 05 Nov 2009 18:14:08 GMT Frederik Heber <heber@…> [4ef101]
	* molecuilder/src/analysis_correlation.cpp (modified)
	* molecuilder/src/boundary.cpp (modified)
	* molecuilder/src/builder.cpp (modified)
	* molecuilder/src/molecule.cpp (modified)
	* molecuilder/src/molecule_geometry.cpp (modified)

	LEAKFIX: ReturnFullMatrixForSymmetric() and InverseMatrix() have ...


Wed, 04 Nov 2009 19:56:04 GMT Frederik Heber <heber@…> [543ce4]
	* molecuilder/src/Makefile.am (modified)
	* molecuilder/src/analysis_correlation.cpp (modified)
	* molecuilder/src/analysis_correlation.hpp (modified)
	* molecuilder/src/analyzer.cpp (modified)
	* molecuilder/src/atom.cpp (modified)
	* molecuilder/src/atom.hpp (modified)
	* molecuilder/src/atom_bondedparticle.cpp (modified)
	* molecuilder/src/atom_bondedparticle.hpp (modified)
	* molecuilder/src/atom_graphnode.cpp (modified)
	* molecuilder/src/atom_graphnode.hpp (modified)
	* molecuilder/src/atom_trajectoryparticle.cpp (modified)
	* molecuilder/src/bond.cpp (modified)
	* molecuilder/src/bondgraph.cpp (modified)
	* molecuilder/src/bondgraph.hpp (modified)
	* molecuilder/src/boundary.cpp (modified)
	* molecuilder/src/boundary.hpp (modified)
	* molecuilder/src/builder.cpp (modified)
	* molecuilder/src/config.cpp (modified)
	* molecuilder/src/datacreator.cpp (modified)
	* molecuilder/src/element.cpp (modified)
	* molecuilder/src/element.hpp (modified)
	* molecuilder/src/ellipsoid.cpp (modified)
	* molecuilder/src/ellipsoid.hpp (modified)
	* molecuilder/src/errorlogger.cpp (moved)
	* molecuilder/src/errorlogger.hpp (moved)
	* molecuilder/src/graph.cpp (modified)
	* molecuilder/src/graph.hpp (modified)
	* molecuilder/src/helpers.cpp (modified)
	* molecuilder/src/helpers.hpp (modified)
	* molecuilder/src/joiner.cpp (modified)
	* molecuilder/src/linkedcell.cpp (modified)
	* molecuilder/src/log.cpp (modified)
	* molecuilder/src/log.hpp (modified)
	* molecuilder/src/logger.cpp (modified)
	* molecuilder/src/memoryallocator.hpp (modified)
	* molecuilder/src/memoryusageobserver.cpp (modified)
	* molecuilder/src/molecule.cpp (modified)
	* molecuilder/src/molecule.hpp (modified)
	* molecuilder/src/molecule_dynamics.cpp (modified)
	* molecuilder/src/molecule_fragmentation.cpp (modified)
	* molecuilder/src/molecule_geometry.cpp (modified)
	* molecuilder/src/molecule_graph.cpp (modified)
	* molecuilder/src/molecule_pointcloud.cpp (modified)
	* molecuilder/src/molecule_template.hpp (modified)
	* molecuilder/src/moleculelist.cpp (modified)
	* molecuilder/src/parser.cpp (modified)
	* molecuilder/src/periodentafel.cpp (modified)
	* molecuilder/src/stackclass.hpp (modified)
	* molecuilder/src/tesselation.cpp (modified)
	* molecuilder/src/tesselation.hpp (modified)
	* molecuilder/src/tesselationhelpers.cpp (modified)
	* molecuilder/src/tesselationhelpers.hpp (modified)
	* molecuilder/src/test/ActOnAlltest.hpp (modified)
	* molecuilder/src/unittests/ActOnAllUnitTest.cpp (modified)
	* molecuilder/src/unittests/AnalysisCorrelationToPointUnitTest.cpp (modified)
	* molecuilder/src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified)
	* molecuilder/src/unittests/AnalysisPairCorrelationUnitTest.cpp (modified)
	* molecuilder/src/unittests/Makefile.am (modified)
	* molecuilder/src/unittests/bondgraphunittest.cpp (modified)
	* molecuilder/src/unittests/logunittest.cpp (modified)
	* molecuilder/src/unittests/memoryallocatorunittest.cpp (modified)
	* molecuilder/src/unittests/stackclassunittest.cpp (modified)
	* molecuilder/src/unittests/tesselationunittest.cpp (modified)
	* molecuilder/src/unittests/vectorunittest.cpp (modified)
	* molecuilder/src/vector.cpp (modified)
	* molecuilder/src/vector.hpp (modified)
	* molecuilder/src/verbose.cpp (modified)

	Huge change from ofstream * (const) out --> Log().

	- first shift ...


Wed, 04 Nov 2009 17:34:05 GMT Frederik Heber <heber@…> [20895b]
	* molecuilder/src/analysis_correlation.cpp (modified)
	* molecuilder/src/atom_bondedparticle.cpp (modified)
	* molecuilder/src/helpers.cpp (modified)
	* molecuilder/src/helpers.hpp (modified)
	* molecuilder/src/molecule_geometry.cpp (modified)
	* molecuilder/src/molecule_graph.cpp (modified)
	* molecuilder/src/tesselation.cpp (modified)
	* molecuilder/src/vector.cpp (modified)
	* molecuilder/src/vector.hpp (modified)

	Extension to the periodic boundary case for analysis_correlation.cpp
 ...


Tue, 27 Oct 2009 16:11:22 GMT Frederik Heber <heber@…> [a9b2a0a]
	* molecuilder/configure.ac (modified)
	* molecuilder/src/analysis_correlation.cpp (modified)
	* molecuilder/src/analysis_correlation.hpp (modified)
	* molecuilder/src/boundary.cpp (modified)
	* molecuilder/src/boundary.hpp (modified)
	* molecuilder/src/builder.cpp (modified)
	* molecuilder/src/ellipsoid.cpp (modified)
	* molecuilder/src/leastsquaremin.cpp (modified)
	* molecuilder/src/leastsquaremin.hpp (modified)
	* molecuilder/src/linkedcell.cpp (modified)
	* molecuilder/src/linkedcell.hpp (modified)
	* molecuilder/src/molecule.cpp (modified)
	* molecuilder/src/molecule.hpp (modified)
	* molecuilder/src/molecule_geometry.cpp (modified)
	* molecuilder/src/molecule_graph.cpp (modified)
	* molecuilder/src/molecule_pointcloud.cpp (modified)
	* molecuilder/src/moleculelist.cpp (modified)
	* molecuilder/src/tesselation.cpp (modified)
	* molecuilder/src/tesselation.hpp (modified)
	* molecuilder/src/tesselationhelpers.cpp (modified)
	* molecuilder/src/tesselationhelpers.hpp (modified)
	* molecuilder/src/unittests/ActOnAllUnitTest.cpp (modified)
	* molecuilder/src/unittests/AnalysisCorrelationToPointUnitTest.cpp (modified)
	* molecuilder/src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified)
	* molecuilder/src/vector.cpp (modified)
	* molecuilder/src/vector.hpp (modified)

	Huge refactoring to make const what is const (ticket #38), continued. ...


Sun, 18 Oct 2009 14:51:38 GMT Frederik Heber <heber@…> [872b51]
	* molecuilder/src/atom.cpp (modified)
	* molecuilder/src/atom.hpp (modified)
	* molecuilder/src/bond.cpp (modified)
	* molecuilder/src/bond.hpp (modified)
	* molecuilder/src/builder.cpp (modified)
	* molecuilder/src/linkedcell.cpp (modified)
	* molecuilder/src/lists.hpp (modified)
	* molecuilder/src/molecule.cpp (modified)
	* molecuilder/src/molecule.hpp (modified)
	* molecuilder/src/molecule_fragmentation.cpp (modified)
	* molecuilder/src/molecule_geometry.cpp (modified)
	* molecuilder/src/molecule_graph.cpp (modified)
	* molecuilder/src/molecule_template.hpp (modified)
	* molecuilder/src/moleculelist.cpp (modified)
	* molecuilder/src/unittests/Makefile.am (modified)
	* molecuilder/src/unittests/listofbondsunittest.cpp (added)
	* molecuilder/src/unittests/listofbondsunittest.hpp (added)

	Huge refactoring: molecule::ListOfBondsPerAtom and ...


Fri, 09 Oct 2009 10:54:52 GMT Frederik Heber <heber@…> [17b3a5c]
	* molecuilder/src/ActOnAllUnitTest.cpp (modified)
	* molecuilder/src/Makefile.am (modified)
	* molecuilder/src/atom.cpp (modified)
	* molecuilder/src/atom.hpp (modified)
	* molecuilder/src/bond.cpp (modified)
	* molecuilder/src/bond.hpp (modified)
	* molecuilder/src/boundary.cpp (modified)
	* molecuilder/src/boundary.hpp (modified)
	* molecuilder/src/builder.cpp (modified)
	* molecuilder/src/config.cpp (modified)
	* molecuilder/src/config.hpp (modified)
	* molecuilder/src/datacreator.cpp (modified)
	* molecuilder/src/datacreator.hpp (modified)
	* molecuilder/src/element.hpp (modified)
	* molecuilder/src/ellipsoid.cpp (modified)
	* molecuilder/src/ellipsoid.hpp (modified)
	* molecuilder/src/graph.cpp (modified)
	* molecuilder/src/graph.hpp (modified)
	* molecuilder/src/helpers.cpp (modified)
	* molecuilder/src/helpers.hpp (modified)
	* molecuilder/src/leastsquaremin.cpp (modified)
	* molecuilder/src/leastsquaremin.hpp (modified)
	* molecuilder/src/linkedcell.cpp (modified)
	* molecuilder/src/linkedcell.hpp (modified)
	* molecuilder/src/lists.hpp (added)
	* molecuilder/src/memoryallocator.hpp (modified)
	* molecuilder/src/memoryusageobserver.hpp (modified)
	* molecuilder/src/molecule.cpp (modified)
	* molecuilder/src/molecule.hpp (modified)
	* molecuilder/src/molecule_dynamics.cpp (modified)
	* molecuilder/src/molecule_fragmentation.cpp (modified)
	* molecuilder/src/molecule_geometry.cpp (modified)
	* molecuilder/src/molecule_graph.cpp (modified)
	* molecuilder/src/molecule_pointcloud.cpp (modified)
	* molecuilder/src/molecule_template.hpp (modified)
	* molecuilder/src/moleculelist.cpp (modified)
	* molecuilder/src/parser.cpp (modified)
	* molecuilder/src/parser.hpp (modified)
	* molecuilder/src/periodentafel.cpp (modified)
	* molecuilder/src/periodentafel.hpp (modified)
	* molecuilder/src/stackclass.hpp (modified)
	* molecuilder/src/tesselation.cpp (modified)
	* molecuilder/src/tesselation.hpp (modified)
	* molecuilder/src/tesselationhelpers.cpp (modified)
	* molecuilder/src/tesselationhelpers.hpp (modified)
	* molecuilder/src/tesselationunittest.hpp (modified)
	* molecuilder/src/vector.hpp (modified)
	* molecuilder/src/verbose.cpp (modified)
	* molecuilder/src/verbose.hpp (modified)

	forward declarations used to untangle interdependet classes.

	- ...


Wed, 07 Oct 2009 13:11:28 GMT Frederik Heber <heber@…> [567b7f]
	* molecuilder/src/atom.cpp (modified)
	* molecuilder/src/atom.hpp (modified)
	* molecuilder/src/boundary.cpp (modified)
	* molecuilder/src/boundary.hpp (modified)
	* molecuilder/src/config.cpp (modified)
	* molecuilder/src/molecule.cpp (modified)
	* molecuilder/src/molecule.hpp (modified)
	* molecuilder/src/molecule_dynamics.cpp (modified)
	* molecuilder/src/molecule_geometry.cpp (modified)

	In molecule::OutputTrajectories() ActOnAllAtoms() with new function ...


Mon, 05 Oct 2009 22:10:53 GMT Frederik Heber <heber@…> [f92d00]
	* molecuilder/src/Makefile.am (modified)
	* molecuilder/src/boundary.hpp (modified)
	* molecuilder/src/builder.cpp (modified)
	* molecuilder/src/config.hpp (modified)
	* molecuilder/src/graph.hpp (modified)
	* molecuilder/src/linkedcell.cpp (modified)
	* molecuilder/src/molecule.cpp (modified)
	* molecuilder/src/molecule.hpp (modified)
	* molecuilder/src/molecule_dynamics.cpp (added)
	* molecuilder/src/molecule_fragmentation.cpp (added)
	* molecuilder/src/molecule_geometry.cpp (added)
	* molecuilder/src/molecule_graph.cpp (added)
	* molecuilder/src/molecule_pointcloud.cpp (added)
	* molecuilder/src/moleculelist.cpp (modified)
	* molecuilder/src/verbose.cpp (modified)

	class molecule implementation split up into six separate parts.

	- ...