#
# ChangeLog for molecuilder/src/config.hpp
#
# Generated by Trac 1.6
# Sep 23, 2025, 3:37:46 PM

Tue, 05 Jan 2010 09:23:25 GMT Tillmann Crueger <crueger@…> [538744]
	* molecuilder/src/builder.cpp (modified)
	* molecuilder/src/config.cpp (modified)
	* molecuilder/src/config.hpp (modified)
	* molecuilder/src/menu.cpp (modified)
	* molecuilder/src/menu.hpp (modified)

	Moved saveConfig method from oldmenu to a method inside config class


Sat, 07 Nov 2009 12:16:57 GMT Frederik Heber <heber@…> [486aa5]
	* molecuilder/src/builder.cpp (modified)
	* molecuilder/src/config.cpp (modified)
	* molecuilder/src/config.hpp (modified)
	* molecuilder/src/molecule.hpp (modified)
	* molecuilder/src/moleculelist.cpp (modified)

	Added config::SavePDB() and config::SaveMPQC().

	- note: for CODICE ...


Mon, 02 Nov 2009 12:50:57 GMT Frederik Heber <heber@…> [df0520]
	* molecuilder/src/boundary.cpp (modified)
	* molecuilder/src/builder.cpp (modified)
	* molecuilder/src/config.cpp (modified)
	* molecuilder/src/config.hpp (modified)
	* molecuilder/src/molecule.cpp (modified)
	* molecuilder/src/molecule.hpp (modified)
	* molecuilder/src/molecule_graph.cpp (modified)
	* molecuilder/src/moleculelist.cpp (modified)

	Small changes.

	- VolumeOfConvexEnvelope() - setprecision corrected ...


Fri, 30 Oct 2009 16:09:29 GMT Frederik Heber <heber@…> [245826]
	* molecuilder/src/bondgraph.cpp (modified)
	* molecuilder/src/builder.cpp (modified)
	* molecuilder/src/config.cpp (modified)
	* molecuilder/src/config.hpp (modified)
	* molecuilder/src/molecule_graph.cpp (modified)

	BondGraph is initialized within config::Load(), as it has to happen ...


Fri, 30 Oct 2009 15:49:38 GMT Frederik Heber <heber@…> [b84ab4]
	* molecuilder/src/bondgraph.cpp (modified)
	* molecuilder/src/builder.cpp (modified)
	* molecuilder/src/config.cpp (modified)
	* molecuilder/src/config.hpp (modified)
	* molecuilder/src/unittests/bondgraphunittest.cpp (modified)

	BondGraph is parsed if command line switch '-g' is given.

	- ...


Tue, 27 Oct 2009 17:16:31 GMT Frederik Heber <heber@…> [069034]
	* molecuilder/src/bond.cpp (modified)
	* molecuilder/src/bond.hpp (modified)
	* molecuilder/src/config.cpp (modified)
	* molecuilder/src/config.hpp (modified)
	* molecuilder/src/memoryallocator.hpp (modified)
	* molecuilder/src/periodentafel.cpp (modified)
	* molecuilder/src/periodentafel.hpp (modified)
	* molecuilder/src/vector.hpp (modified)

	class config, ConfigFileBuffer, periodentafel and Vector are ...


Sat, 17 Oct 2009 16:47:06 GMT Frederik Heber <heber@…> [25e34b]
	* molecuilder/src/config.cpp (modified)
	* molecuilder/src/config.hpp (modified)

	LoadMolecule externalized from Load()

	- new function ...


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.

	- ...


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.

	- ...


Thu, 20 Aug 2009 07:48:07 GMT Frederik Heber <heber@…> [84b811]
	* molecuilder/src/boundary.cpp (modified)
	* molecuilder/src/boundary.hpp (modified)
	* molecuilder/src/builder.cpp (modified)
	* molecuilder/src/config.hpp (modified)
	* molecuilder/src/molecules.hpp (modified)
	* molecuilder/src/tesselation.cpp (modified)
	* molecuilder/src/tesselation.hpp (modified)
	* molecuilder/src/tesselationhelpers.cpp (modified)
	* molecuilder/src/tesselationhelpers.hpp (modified)

	Merge branch 'ConcaveHull' of ...


Mon, 03 Aug 2009 15:26:32 GMT Frederik Heber <heber@…> [eb167d]
	* molecuilder/src/bond.cpp (modified)
	* molecuilder/src/bond.hpp (modified)
	* molecuilder/src/boundary.cpp (modified)
	* molecuilder/src/boundary.hpp (modified)
	* molecuilder/src/config.hpp (modified)
	* molecuilder/src/helpers.hpp (modified)
	* molecuilder/src/linkedcell.cpp (modified)
	* molecuilder/src/molecules.hpp (modified)
	* molecuilder/src/vector.cpp (modified)

	Some minor fixes with regards to what needs to be included where and ...


Mon, 03 Aug 2009 15:09:12 GMT Frederik Heber <heber@…> [4dca8e]
	* molecuilder/src/Makefile.am (modified)
	* molecuilder/src/atom.hpp (modified)
	* molecuilder/src/bond.hpp (modified)
	* molecuilder/src/config.hpp (modified)
	* molecuilder/src/element.cpp (modified)
	* molecuilder/src/element.hpp (added)
	* molecuilder/src/helpers.hpp (modified)
	* molecuilder/src/molecules.hpp (modified)
	* molecuilder/src/periodentafel.cpp (modified)
	* molecuilder/src/periodentafel.hpp (modified)
	* molecuilder/src/stackclass.hpp (modified)
	* molecuilder/src/verbose.hpp (added)

	definitions for class element and verbose moved to their own header ...


Mon, 03 Aug 2009 14:58:43 GMT Frederik Heber <heber@…> [e78824]
	* molecuilder/src/Makefile.am (modified)
	* molecuilder/src/boundary.hpp (modified)
	* molecuilder/src/config.cpp (modified)
	* molecuilder/src/config.hpp (added)
	* molecuilder/src/moleculelist.cpp (modified)
	* molecuilder/src/molecules.cpp (modified)
	* molecuilder/src/molecules.hpp (modified)

	class config definitions moved to their own header file.

	NOTE: ...