#
# ChangeLog for src/Makefile.am
#
# Generated by Trac 1.4.4
# Dec 28, 2024, 12:11:52 AM

Fri, 30 Oct 2009 09:05:30 GMT Frederik Heber <heber@…> [b70721]
	* src/Makefile.am (modified)
	* src/atom_bondedparticle.cpp (modified)
	* src/atom_bondedparticle.hpp (modified)
	* src/bondgraph.cpp (added)
	* src/bondgraph.hpp (added)
	* src/builder.cpp (modified)
	* src/molecule.hpp (modified)
	* src/molecule_graph.cpp (modified)
	* src/unittests/Makefile.am (modified)
	* src/unittests/bondgraphunittest.cpp (added)
	* src/unittests/bondgraphunittest.hpp (added)

	New class BondGraph.

	- BondGraph parses a file containing bond ...


Tue, 20 Oct 2009 08:55:17 GMT Frederik Heber <heber@…> [6b919f8]
	* src/Makefile.am (modified)
	* src/atom.cpp (modified)
	* src/atom.hpp (modified)
	* src/atom_atominfo.cpp (added)
	* src/atom_atominfo.hpp (added)
	* src/atom_bondedparticle.cpp (added)
	* src/atom_bondedparticle.hpp (added)
	* src/atom_bondedparticleinfo.cpp (added)
	* src/atom_bondedparticleinfo.hpp (added)
	* src/atom_graphnode.cpp (added)
	* src/atom_graphnode.hpp (added)
	* src/atom_graphnodeinfo.cpp (added)
	* src/atom_graphnodeinfo.hpp (added)
	* src/atom_particleinfo.cpp (added)
	* src/atom_particleinfo.hpp (added)
	* src/atom_trajectoryparticle.cpp (added)
	* src/atom_trajectoryparticle.hpp (added)
	* src/atom_trajectoryparticleinfo.cpp (added)
	* src/atom_trajectoryparticleinfo.hpp (added)
	* src/tesselation.cpp (modified)
	* src/tesselation.hpp (modified)

	Refactored atom.cpp into multiple files.

	After the class atom was ...


Tue, 13 Oct 2009 16:42:58 GMT Frederik Heber <heber@…> [c4d4df]
	* src/Makefile.am (modified)
	* src/analysis_correlation.cpp (added)
	* src/analysis_correlation.hpp (added)
	* src/tesselationhelpers.cpp (modified)
	* src/tesselationhelpers.hpp (modified)
	* src/unittests/AnalysisCorrelationToPointUnitTest.cpp (added)
	* src/unittests/AnalysisCorrelationToPointUnitTest.hpp (added)
	* src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (added)
	* src/unittests/AnalysisCorrelationToSurfaceUnitTest.hpp (added)
	* src/unittests/AnalysisPairCorrelationUnitTest.cpp (added)
	* src/unittests/AnalysisPairCorrelationUnitTest.hpp (added)
	* src/unittests/Makefile.am (modified)
	* src/vector.cpp (modified)
	* src/vector.hpp (modified)

	Pair correlation analysis added.

	- new file ...


Fri, 09 Oct 2009 12:30:54 GMT Frederik Heber <heber@…> [c111db]
	* Makefile.am (modified)
	* configure.ac (modified)
	* src/Makefile.am (modified)
	* src/analyzer.cpp (modified)
	* src/atom.cpp (modified)
	* src/bond.cpp (modified)
	* src/builder.cpp (modified)
	* src/helpers.cpp (modified)
	* src/helpers.hpp (modified)
	* src/memoryallocator.hpp (modified)
	* src/memoryusageobserver.cpp (modified)
	* src/memoryusageobserver.hpp (modified)
	* src/unittests/ActOnAllUnitTest.cpp (moved)
	* src/unittests/ActOnAllUnitTest.hpp (moved)
	* src/unittests/ActOnAlltest.hpp (moved)
	* src/unittests/Makefile.am (added)
	* src/unittests/memoryallocatorunittest.cpp (moved)
	* src/unittests/memoryallocatorunittest.hpp (moved)
	* src/unittests/memoryusageobserverunittest.cpp (moved)
	* src/unittests/memoryusageobserverunittest.hpp (moved)
	* src/unittests/tesselationunittest.cpp (moved)
	* src/unittests/tesselationunittest.hpp (moved)
	* src/unittests/vectorunittest.cpp (moved)
	* src/unittests/vectorunittest.hpp (moved)

	Merge branch 'new-delete-conversion' into CodeRefactoring
 ...


Fri, 09 Oct 2009 10:54:52 GMT Frederik Heber <heber@…> [f66195]
	* src/ActOnAllUnitTest.cpp (modified)
	* src/Makefile.am (modified)
	* src/atom.cpp (modified)
	* src/atom.hpp (modified)
	* src/bond.cpp (modified)
	* src/bond.hpp (modified)
	* src/boundary.cpp (modified)
	* src/boundary.hpp (modified)
	* src/builder.cpp (modified)
	* src/config.cpp (modified)
	* src/config.hpp (modified)
	* src/datacreator.cpp (modified)
	* src/datacreator.hpp (modified)
	* src/element.hpp (modified)
	* src/ellipsoid.cpp (modified)
	* src/ellipsoid.hpp (modified)
	* src/graph.cpp (modified)
	* src/graph.hpp (modified)
	* src/helpers.cpp (modified)
	* src/helpers.hpp (modified)
	* src/leastsquaremin.cpp (modified)
	* src/leastsquaremin.hpp (modified)
	* src/linkedcell.cpp (modified)
	* src/linkedcell.hpp (modified)
	* src/lists.hpp (added)
	* src/memoryallocator.hpp (modified)
	* src/memoryusageobserver.hpp (modified)
	* src/molecule.cpp (modified)
	* src/molecule.hpp (modified)
	* src/molecule_dynamics.cpp (modified)
	* src/molecule_fragmentation.cpp (modified)
	* src/molecule_geometry.cpp (modified)
	* src/molecule_graph.cpp (modified)
	* src/molecule_pointcloud.cpp (modified)
	* src/molecule_template.hpp (modified)
	* src/moleculelist.cpp (modified)
	* src/parser.cpp (modified)
	* src/parser.hpp (modified)
	* src/periodentafel.cpp (modified)
	* src/periodentafel.hpp (modified)
	* src/stackclass.hpp (modified)
	* src/tesselation.cpp (modified)
	* src/tesselation.hpp (modified)
	* src/tesselationhelpers.cpp (modified)
	* src/tesselationhelpers.hpp (modified)
	* src/tesselationunittest.hpp (modified)
	* src/vector.hpp (modified)
	* src/verbose.cpp (modified)
	* src/verbose.hpp (modified)

	forward declarations used to untangle interdependet classes.

	- ...


Wed, 07 Oct 2009 15:35:17 GMT metzler <metzler@…> [b9907c]
	* Makefile.am (modified)
	* configure.ac (modified)
	* src/Makefile.am (modified)
	* src/unittests/Makefile.am (modified)

	Ticket 30: Put molecuilder unit tests in their own subfolder in src


Wed, 07 Oct 2009 15:04:23 GMT Saskia Metzler <metzler@…> [be90f1]
	* configure.ac (modified)
	* src/Makefile.am (modified)
	* src/builder.cpp (modified)
	* src/helpers.cpp (modified)
	* src/helpers.hpp (modified)
	* src/memoryallocator.hpp (modified)
	* src/unittests/Makefile.am (added)
	* src/unittests/memoryallocatorunittest.cpp (moved)
	* src/unittests/memoryallocatorunittest.hpp (moved)
	* src/unittests/memoryusageobserverunittest.cpp (moved)
	* src/unittests/memoryusageobserverunittest.hpp (moved)
	* src/unittests/tesselationunittest.cpp (moved)
	* src/unittests/tesselationunittest.hpp (moved)
	* src/unittests/vectorunittest.cpp (moved)
	* src/unittests/vectorunittest.hpp (moved)

	temp commit


Tue, 06 Oct 2009 17:57:01 GMT Frederik Heber <heber@…> [e9f8f9]
	* src/Makefile.am (modified)
	* src/atom.cpp (modified)
	* src/atom.hpp (modified)
	* src/helpers.cpp (modified)
	* src/helpers.hpp (modified)
	* src/molecule.cpp (modified)
	* src/molecule.hpp (modified)
	* src/molecule_template.hpp (added)

	More functions of molecule now use templated iterators.

	- the ...


Mon, 05 Oct 2009 22:10:53 GMT Frederik Heber <heber@…> [cee0b57]
	* src/Makefile.am (modified)
	* src/boundary.hpp (modified)
	* src/builder.cpp (modified)
	* src/config.hpp (modified)
	* src/graph.hpp (modified)
	* src/linkedcell.cpp (modified)
	* src/molecule.cpp (modified)
	* src/molecule.hpp (modified)
	* src/molecule_dynamics.cpp (added)
	* src/molecule_fragmentation.cpp (added)
	* src/molecule_geometry.cpp (added)
	* src/molecule_graph.cpp (added)
	* src/molecule_pointcloud.cpp (added)
	* src/moleculelist.cpp (modified)
	* src/verbose.cpp (modified)

	class molecule implementation split up into six separate parts.

	- ...


Mon, 05 Oct 2009 20:51:24 GMT Frederik Heber <heber@…> [33f9f7]
	* src/ActOnAllUnitTest.cpp (modified)
	* src/ActOnAllUnitTest.hpp (modified)
	* src/ActOnAlltest.hpp (modified)
	* src/Makefile.am (modified)
	* src/molecules.hpp (modified)

	Member functions of Vector class may be called while going over an ...


Mon, 05 Oct 2009 18:45:06 GMT Frederik Heber <heber@…> [13a574]
	* configure.ac (modified)
	* m4/ax_boost_base.m4 (added)
	* m4/ax_boost_program_options.m4 (added)
	* src/Makefile.am (modified)
	* src/analyzer.cpp (modified)
	* src/atom.cpp (modified)
	* src/boundary.cpp (modified)
	* src/builder.cpp (modified)
	* src/config.cpp (modified)
	* src/defs.hpp (modified)
	* src/helpers.cpp (modified)
	* src/helpers.hpp (modified)
	* src/joiner.cpp (modified)
	* src/memoryallocator.hpp (added)
	* src/memoryallocatorunittest.cpp (added)
	* src/memoryallocatorunittest.hpp (added)
	* src/memoryusageobserver.cpp (added)
	* src/memoryusageobserver.hpp (added)
	* src/memoryusageobserverunittest.cpp (added)
	* src/memoryusageobserverunittest.hpp (added)
	* src/moleculelist.cpp (modified)
	* src/molecules.cpp (modified)
	* src/molecules.hpp (modified)
	* src/parser.cpp (modified)
	* src/stackclass.hpp (modified)
	* src/tesselation.cpp (modified)
	* src/tesselationunittest.cpp (modified)
	* src/vector.cpp (modified)
	* src/vector.hpp (modified)
	* src/vectorunittest.cpp (modified)
	* src/vectorunittest.hpp (modified)
	* tests/testsuite.at (modified)

	Merge branch 'ConvexHull' into ActOnAll

	Conflicts:

	        ...


Mon, 05 Oct 2009 18:43:43 GMT Frederik Heber <heber@…> [fa861b]
	* configure.ac (modified)
	* m4/ax_boost_base.m4 (added)
	* m4/ax_boost_program_options.m4 (added)
	* src/Makefile.am (modified)

	Included BOOST library MPL into autoconf setup.


Mon, 05 Oct 2009 17:21:58 GMT Frederik Heber <heber@…> [c26f44]
	* src/Makefile.am (modified)
	* src/atom.cpp (modified)
	* src/builder.cpp (modified)
	* src/memoryallocator.hpp (modified)
	* src/memoryusageobserver.cpp (modified)
	* src/memoryusageobserver.hpp (modified)
	* src/molecules.cpp (modified)
	* src/tesselation.cpp (modified)
	* src/tesselationunittest.cpp (modified)
	* tests/testsuite.at (modified)

	Fixed testsuite, removed some minor bugs.

	- ...


Mon, 05 Oct 2009 16:05:53 GMT Frederik Heber <heber@…> [a33931]
	* src/Makefile.am (modified)
	* src/analyzer.cpp (modified)
	* src/atom.cpp (modified)
	* src/boundary.cpp (modified)
	* src/builder.cpp (modified)
	* src/config.cpp (modified)
	* src/defs.hpp (modified)
	* src/helpers.cpp (modified)
	* src/helpers.hpp (modified)
	* src/joiner.cpp (modified)
	* src/memoryallocator.hpp (added)
	* src/memoryallocatorunittest.cpp (added)
	* src/memoryallocatorunittest.hpp (added)
	* src/memoryusageobserver.cpp (added)
	* src/memoryusageobserver.hpp (added)
	* src/memoryusageobserverunittest.cpp (added)
	* src/memoryusageobserverunittest.hpp (added)
	* src/moleculelist.cpp (modified)
	* src/molecules.cpp (modified)
	* src/molecules.hpp (modified)
	* src/parser.cpp (modified)
	* src/stackclass.hpp (modified)
	* src/tesselation.cpp (modified)
	* src/vector.cpp (modified)
	* src/vector.hpp (modified)
	* src/vectorunittest.cpp (modified)
	* src/vectorunittest.hpp (modified)

	Merge branch 'ConcaveHull' into ConvexHull

	Conflicts:

	        ...


Mon, 05 Oct 2009 14:31:35 GMT Frederik Heber <heber@…> [aba92d]
	* src/ActOnAllUnitTest.cpp (added)
	* src/ActOnAllUnitTest.hpp (added)
	* src/ActOnAlltest.hpp (added)
	* src/Makefile.am (modified)

	ActOnAll is a test (not in the molecuilder source tree, but as a ...


Mon, 05 Oct 2009 14:12:18 GMT metzler <metzler@…> [c30180]
	* src/Makefile.am (modified)
	* src/builder.cpp (modified)
	* src/helpers.cpp (modified)
	* src/memoryallocator.hpp (modified)
	* src/memoryusageobserver.cpp (added)
	* src/memoryusageobserver.hpp (added)
	* src/memoryusageobserverunittest.cpp (added)
	* src/memoryusageobserverunittest.hpp (added)

	#19 Observe memory usage


Mon, 28 Sep 2009 18:31:58 GMT Frederik Heber <heber@…> [d04966]
	* src/Makefile.am (modified)
	* src/tesselationunittest.cpp (added)
	* src/tesselationunittest.hpp (added)

	Added Tesselation unit test

	- new file tesselationunittest with ...


Mon, 21 Sep 2009 11:48:42 GMT Saskia Metzler <metzler@…> [29812d]
	* src/Makefile.am (modified)
	* src/analyzer.cpp (modified)
	* src/atom.cpp (modified)
	* src/boundary.cpp (modified)
	* src/config.cpp (modified)
	* src/defs.hpp (modified)
	* src/helpers.cpp (modified)
	* src/helpers.hpp (modified)
	* src/joiner.cpp (modified)
	* src/memoryallocator.hpp (added)
	* src/memoryallocatorunittest.cpp (added)
	* src/memoryallocatorunittest.hpp (added)
	* src/moleculelist.cpp (modified)
	* src/molecules.cpp (modified)
	* src/parser.cpp (modified)
	* src/stackclass.hpp (modified)
	* src/tesselation.cpp (modified)
	* src/vector.cpp (modified)

	Ticket 11: use templates and/or traits to fix Malloc/ReAlloc-Free ...


Wed, 19 Aug 2009 12:23:05 GMT Frederik Heber <heber@…> [ef9df36]
	* src/Makefile.am (modified)
	* src/vector.cpp (modified)
	* src/vector.hpp (modified)
	* src/vectorunittest.cpp (modified)
	* src/vectorunittest.hpp (modified)

	VectorUnitTest extended to Projections and Line intersection, some ...


Tue, 18 Aug 2009 08:48:06 GMT Frederik Heber <heber@…> [54a746]
	* configure.ac (modified)
	* src/Makefile.am (modified)
	* src/leastsquaremin.cpp (added)
	* src/leastsquaremin.hpp (added)
	* src/molecules.cpp (modified)
	* src/molecules.hpp (modified)
	* src/tesselation.cpp (modified)
	* src/vector.cpp (modified)
	* src/vector.hpp (modified)
	* src/vectorunittest.cpp (added)
	* src/vectorunittest.hpp (added)

	Incorporation of Unit test on class Vector.

	- new file ...


Mon, 03 Aug 2009 15:09:12 GMT Frederik Heber <heber@…> [cd4ccc]
	* src/Makefile.am (modified)
	* src/atom.hpp (modified)
	* src/bond.hpp (modified)
	* src/config.hpp (modified)
	* src/element.cpp (modified)
	* src/element.hpp (added)
	* src/helpers.hpp (modified)
	* src/molecules.hpp (modified)
	* src/periodentafel.cpp (modified)
	* src/periodentafel.hpp (modified)
	* src/stackclass.hpp (modified)
	* 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@…> [a80fbdf]
	* src/Makefile.am (modified)
	* src/boundary.hpp (modified)
	* src/config.cpp (modified)
	* src/config.hpp (added)
	* src/moleculelist.cpp (modified)
	* src/molecules.cpp (modified)
	* src/molecules.hpp (modified)

	class config definitions moved to their own header file.

	NOTE: ...


Mon, 03 Aug 2009 14:48:42 GMT Frederik Heber <heber@…> [357fba]
	* src/Makefile.am (modified)
	* src/atom.cpp (modified)
	* src/atom.hpp (added)
	* src/bond.cpp (modified)
	* src/bond.hpp (added)
	* src/boundary.cpp (modified)
	* src/boundary.hpp (modified)
	* src/builder.cpp (modified)
	* src/config.cpp (modified)
	* src/ellipsoid.cpp (modified)
	* src/ellipsoid.hpp (modified)
	* src/linkedcell.cpp (modified)
	* src/linkedcell.hpp (modified)
	* src/molecules.cpp (modified)
	* src/molecules.hpp (modified)
	* src/tesselation.cpp (added)
	* src/tesselation.hpp (added)
	* src/tesselationhelpers.cpp (added)
	* src/tesselationhelpers.hpp (added)
	* src/vector.hpp (modified)

	Huge refactoring of Tesselation routines, but not finished yet.

	- ...


Mon, 03 Aug 2009 08:10:09 GMT Frederik Heber <heber@…> [2319ed]
	* src/Makefile.am (modified)
	* src/atom.cpp (modified)
	* src/boundary.cpp (modified)
	* src/boundary.hpp (modified)
	* src/builder.cpp (modified)
	* src/molecules.cpp (modified)
	* src/molecules.hpp (modified)
	* src/vector.cpp (modified)
	* src/vector.hpp (modified)

	We are one step further in fixing the convex hull: There are two ...


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 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
	        ...


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
 ...


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


Thu, 25 Sep 2008 17:50:17 GMT Frederik Heber <heber@…> [7ce307]
	* src/Makefile.am (modified)

	Some files were missing in the repository

	pseudopotentials and the ...


Mon, 18 Aug 2008 08:57:58 GMT Frederik Heber <heber@…> [362b0e]
	* src/Makefile.am (modified)
	* src/atom.cpp (modified)
	* src/builder.cpp (modified)
	* src/config.cpp (modified)
	* src/moleculelist.cpp (modified)
	* src/molecules.cpp (modified)
	* src/molecules.hpp (modified)

	Adaptivity fixes, MD by VerletForceIntegration introduced, MD ...


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 ...


Thu, 12 Jun 2008 19:14:46 GMT Frederik Heber <heber@…> [110ceb]
	* src/Makefile.am (modified)
	* src/builder.cpp (modified)
	* src/defs.hpp (modified)
	* src/molecules.cpp (modified)
	* src/molecules.hpp (modified)
	* src/vector.cpp (modified)
	* src/vector.hpp (modified)

	VolumeOfConvexEnvelope: Works!

	VolumeOfConvexEnvelope has been ...


Fri, 30 May 2008 13:50:45 GMT Frederik Heber <heber@…> [95078c]
	* configure.ac (modified)
	* src/Makefile.am (modified)

	AM_CFLAGS thrown out as warnings are added to CFLAGS in configure- ...


Sat, 24 May 2008 12:31:46 GMT Frederik Heber <heber@…> [040f93]
	* src/Makefile.am (modified)

	removed specialised CFLAGS for general AM_C(PP)FLAGS that just enable ...


Wed, 21 May 2008 11:13:17 GMT Frederik Heber <heber@…> [3b67a1]
	* src/Makefile.am (modified)

	new vector header added to molecuilder_SOURCES


Fri, 09 May 2008 12:50:42 GMT Frederik Heber <heber@…> [f30216]
	* src/Makefile.am (modified)
	* src/joiner.cpp (modified)

	joiner now writes ENERGYPERFRAGMENT file for adaptive BOSSANOVA


Wed, 07 May 2008 13:38:13 GMT Frederik Heber <heber@…> [6d35e4]
	* src/Makefile.am (modified)
	* src/atom.cpp (modified)
	* src/helpers.hpp (modified)
	* src/molecules.cpp (modified)
	* src/molecules.hpp (modified)
	* src/stackclass.hpp (added)

	AtomStackClass -> template <typename T> StackClass<T> change in new ...


Thu, 24 Apr 2008 13:52:02 GMT Frederik Heber <heber@…> [d3a46d]
	* configure.ac (modified)
	* src/Makefile.am (modified)
	* src/helpers.cpp (modified)
	* src/helpers.hpp (modified)
	* src/molecules.cpp (modified)

	added --enable-optimization, thrown -g -O specifics out of ...


Fri, 18 Apr 2008 11:26:42 GMT Frederik Heber <heber@…> [14de469]
	* AUTHORS (added)
	* ChangeLog (added)
	* Makefile.am (added)
	* NEWS (added)
	* README (added)
	* autogen.sh (added)
	* configure.ac (added)
	* doc/Doxyfile (added)
	* doc/Makefile.am (added)
	* m4/ac_doxygen.m4 (added)
	* src/Hbondangle.db (added)
	* src/Hbonddistance.db (added)
	* src/Makefile.am (added)
	* src/analyzer.cpp (added)
	* src/atom.cpp (added)
	* src/bond.cpp (added)
	* src/builder.cpp (added)
	* src/config.cpp (added)
	* src/datacreator.cpp (added)
	* src/datacreator.hpp (added)
	* src/defs.hpp (added)
	* src/element.cpp (added)
	* src/elements.db (added)
	* src/graph.cpp (added)
	* src/helpers.cpp (added)
	* src/helpers.hpp (added)
	* src/joiner.cpp (added)
	* src/moleculelist.cpp (added)
	* src/molecules.cpp (added)
	* src/molecules.hpp (added)
	* src/orbitals.db (added)
	* src/parser.cpp (added)
	* src/parser.hpp (added)
	* src/periodentafel.cpp (added)
	* src/valence.db (added)
	* src/vector.cpp (added)
	* src/verbose.cpp (added)

	-initial commit
	-Minimum set of files needed from ESPACK SVN ...