#
# ChangeLog for tests/regression/testsuite.at
#
# Generated by Trac 1.4.4
# Jan 10, 2025, 3:10:29 PM

Mon, 07 Feb 2011 10:25:52 GMT Frederik Heber <heber@…> [881c05]
	* tests/regression/Makefile.am (modified)
	* tests/regression/Tesselation/BigConvex/post/NonConvexEnvelope.dat (moved)
	* tests/regression/Tesselation/BigConvex/post/NonConvexEnvelope.r3d (moved)
	* tests/regression/Tesselation/BigConvex/post/test.conf (moved)
	* tests/regression/Tesselation/BigConvex/pre/test.conf (moved)
	* tests/regression/Tesselation/BigConvex/testsuite-tesselation-big-convex-envelope.at (added)
	* tests/regression/Tesselation/BigNonConvex/post/NonConvexEnvelope.dat (moved)
	* tests/regression/Tesselation/BigNonConvex/post/NonConvexEnvelope.r3d (moved)
	* tests/regression/Tesselation/BigNonConvex/post/tecplot.phy (moved)
	* tests/regression/Tesselation/BigNonConvex/post/test.conf (moved)
	* tests/regression/Tesselation/BigNonConvex/pre/test.conf (moved)
	* tests/regression/Tesselation/BigNonConvex/testsuite-tesselation-big-non-convex-envelope.at (added)
	* tests/regression/Tesselation/Convex/post/ConvexEnvelope.dat (moved)
	* tests/regression/Tesselation/Convex/post/ConvexEnvelope.r3d (moved)
	* tests/regression/Tesselation/Convex/post/NonConvexEnvelope.dat (moved)
	* tests/regression/Tesselation/Convex/post/NonConvexEnvelope.r3d (moved)
	* tests/regression/Tesselation/Convex/post/test.conf (moved)
	* tests/regression/Tesselation/Convex/pre/test.conf (moved)
	* tests/regression/Tesselation/Convex/testsuite-tesselation-convex-envelope.at (added)
	* tests/regression/Tesselation/NonConvex/post/NonConvexEnvelope.dat (moved)
	* tests/regression/Tesselation/NonConvex/post/NonConvexEnvelope.r3d (moved)
	* tests/regression/Tesselation/NonConvex/post/test.conf (moved)
	* tests/regression/Tesselation/NonConvex/pre/test.conf (moved)
	* tests/regression/Tesselation/NonConvex/testsuite-tesselation-non-convex-envelope.at (added)
	* tests/regression/Tesselation/testsuite-tesselation.at (added)
	* tests/regression/testsuite-tesselation.at (deleted)
	* tests/regression/testsuite.at (modified)

	Changed regression testsuite structure of Tesselation.

	- all ...


Mon, 07 Feb 2011 10:25:51 GMT Frederik Heber <heber@…> [b5ad39]
	* tests/regression/Makefile.am (modified)
	* tests/regression/Simple_configuration/1/post/test.xyz (deleted)
	* tests/regression/testsuite-simple_configuration.at (deleted)
	* tests/regression/testsuite.at (modified)

	Removed Simple_configuration testsuite.

	- removed test on creation ...


Mon, 07 Feb 2011 10:25:38 GMT Frederik Heber <heber@…> [d445e4]
	* tests/regression/Atoms/Add/post/empty.conf (moved)
	* tests/regression/Atoms/Add/post/test.conf (moved)
	* tests/regression/Atoms/Add/post/test.data (added)
	* tests/regression/Atoms/Add/post/test.in (moved)
	* tests/regression/Atoms/Add/post/test.pdb (added)
	* tests/regression/Atoms/Add/post/test.xyz (moved)
	* tests/regression/Atoms/Add/testsuite-atoms-add.at (added)
	* tests/regression/Atoms/ChangeElement/post/test.xyz (moved)
	* tests/regression/Atoms/ChangeElement/pre/test.xyz (moved)
	* tests/regression/Atoms/ChangeElement/testsuite-atoms-change-element.at (added)
	* tests/regression/Atoms/Remove/post/test.conf (moved)
	* tests/regression/Atoms/Remove/post/test.in (moved)
	* tests/regression/Atoms/Remove/post/test.xyz (moved)
	* tests/regression/Atoms/Remove/pre/test.conf (moved)
	* tests/regression/Atoms/Remove/testsuite-atoms-remove.at (added)
	* tests/regression/Atoms/RemoveInsideCuboid/post/test-cuboid.xyz-sorted (moved)
	* tests/regression/Atoms/RemoveInsideCuboid/post/test-withoutcuboid.xyz-sorted (moved)
	* tests/regression/Atoms/RemoveInsideCuboid/post/test.xyz-sorted (moved)
	* tests/regression/Atoms/RemoveInsideCuboid/pre/test.xyz (moved)
	* tests/regression/Atoms/RemoveInsideCuboid/testsuite-atoms-remove-inside-cuboid.at (added)
	* tests/regression/Atoms/RemoveInsideSphere/post/test-sphere.xyz-sorted (moved)
	* tests/regression/Atoms/RemoveInsideSphere/post/test-withoutsphere.xyz-sorted (moved)
	* tests/regression/Atoms/RemoveInsideSphere/post/test.xyz-sorted (added)
	* tests/regression/Atoms/RemoveInsideSphere/pre/test.xyz (added)
	* tests/regression/Atoms/RemoveInsideSphere/testsuite-atoms-remove-inside-sphere.at (added)
	* tests/regression/Atoms/Translation/post/test-shifted.xyz (moved)
	* tests/regression/Atoms/Translation/post/test.xyz (moved)
	* tests/regression/Atoms/Translation/pre/test.xyz (moved)
	* tests/regression/Atoms/Translation/testsuite-atoms-translation.at (added)
	* tests/regression/Atoms/testsuite-atoms.at (added)
	* tests/regression/Makefile.am (modified)
	* tests/regression/testsuite-simple_configuration.at (modified)
	* tests/regression/testsuite.at (modified)

	Changed regression testsuite structure of Atoms.

	- All atom-related ...


Mon, 07 Feb 2011 10:15:38 GMT Frederik Heber <heber@…> [f2230e]
	* tests/regression/Makefile.am (modified)
	* tests/regression/Parser/Mpqc-SetBasis/testsuite-parser-mpqc-set-basis.at (moved)
	* tests/regression/Parser/Mpqc/post/test.in (moved)
	* tests/regression/Parser/Mpqc/pre/test.in (added)
	* tests/regression/Parser/Mpqc/pre/test.xyz (moved)
	* tests/regression/Parser/Mpqc/testsuite-parser-mpqc.at (added)
	* tests/regression/Parser/Pcp/post/test.conf (moved)
	* tests/regression/Parser/Pcp/pre/test.conf (moved)
	* tests/regression/Parser/Pcp/testsuite-parser-pcp.at (added)
	* tests/regression/Parser/Pdb/post/test.pdb (moved)
	* tests/regression/Parser/Pdb/pre/test.pdb (moved)
	* tests/regression/Parser/Pdb/testsuite-parser-pdb.at (added)
	* tests/regression/Parser/Tremolo/post/argon.data (added)
	* tests/regression/Parser/Tremolo/post/test.data (added)
	* tests/regression/Parser/Tremolo/pre/argon.data (added)
	* tests/regression/Parser/Tremolo/pre/test.data (added)
	* tests/regression/Parser/Tremolo/pre/test.xyz (moved)
	* tests/regression/Parser/Tremolo/testsuite-parser-tremolo.at (added)
	* tests/regression/Parser/Xyz/post/test.xyz (added)
	* tests/regression/Parser/Xyz/pre/test.xyz (added)
	* tests/regression/Parser/Xyz/testsuite-parser-xyz.at (added)
	* tests/regression/Parser/testsuite-parser.at (added)
	* tests/regression/testsuite-simple_configuration.at (modified)
	* tests/regression/testsuite.at (modified)

	Changed regression testsuite structure of Parser.

	- specifics ...


Fri, 04 Feb 2011 19:11:51 GMT Frederik Heber <heber@…> [0a2b34]
	* tests/regression/Makefile.am (modified)
	* tests/regression/Options/testsuite-options.at (moved)
	* tests/regression/testsuite.at (modified)

	Changed regression testsuite structure of Options.

	- ...


Fri, 04 Feb 2011 19:11:51 GMT Frederik Heber <heber@…> [967b3c]
	* src/Actions/AtomAction/RotateAroundOriginByAngleAction.def (modified)
	* src/Actions/MoleculeAction/LinearInterpolationofTrajectoriesAction.def (modified)
	* src/Actions/MoleculeAction/RotateAroundSelfByAngleAction.def (modified)
	* src/Actions/MoleculeAction/RotateToPrincipalAxisSystemAction.def (modified)
	* src/Actions/MoleculeAction/VerletIntegrationAction.def (modified)
	* tests/regression/Analysis/AngularDipoleCorrelation-DiscreteAngles/testsuite-analysis-angular-dipole-correlation-discrete-angles.at (modified)
	* tests/regression/Makefile.am (modified)
	* tests/regression/Molecules/BondFile/pre/test.conf (moved)
	* tests/regression/Molecules/BondFile/pre/test.dbond (moved)
	* tests/regression/Molecules/BondFile/testsuite-molecules-bond-file.at (added)
	* tests/regression/Molecules/Copy/post/test-copy.xyz (moved)
	* tests/regression/Molecules/Copy/pre/test.xyz (moved)
	* tests/regression/Molecules/Copy/testsuite-molecules-copy-molecule.at (added)
	* tests/regression/Molecules/LinearInterpolationofTrajectories/post/test.conf (moved)
	* tests/regression/Molecules/LinearInterpolationofTrajectories/pre/test.conf (moved)
	* tests/regression/Molecules/LinearInterpolationofTrajectories/testsuite-molecules-linear-interpolation-of-trajectories.at (added)
	* tests/regression/Molecules/RotateAroundOrigin/post/test-rotated-xYz20.xyz (moved)
	* tests/regression/Molecules/RotateAroundOrigin/post/test-rotated-z180.xyz (moved)
	* tests/regression/Molecules/RotateAroundOrigin/post/test-rotated-z360.xyz (moved)
	* tests/regression/Molecules/RotateAroundOrigin/post/test-rotated-z90.xyz (moved)
	* tests/regression/Molecules/RotateAroundOrigin/pre/test.xyz (moved)
	* tests/regression/Molecules/RotateAroundOrigin/testsuite-molecules-rotate-around-origin.at (added)
	* tests/regression/Molecules/RotateAroundSelf/post/test-rotated-xYz20.xyz (moved)
	* tests/regression/Molecules/RotateAroundSelf/post/test-rotated-z180.xyz (moved)
	* tests/regression/Molecules/RotateAroundSelf/post/test-rotated-z360.xyz (moved)
	* tests/regression/Molecules/RotateAroundSelf/post/test-rotated-z90.xyz (moved)
	* tests/regression/Molecules/RotateAroundSelf/pre/test.xyz (moved)
	* tests/regression/Molecules/RotateAroundSelf/testsuite-molecules-rotate-around-self.at (added)
	* tests/regression/Molecules/RotateToPrincipalAxisSystem/post/test-rotated-xYz20.xyz (moved)
	* tests/regression/Molecules/RotateToPrincipalAxisSystem/post/test-rotated-z180.xyz (moved)
	* tests/regression/Molecules/RotateToPrincipalAxisSystem/post/test-rotated-z360.xyz (moved)
	* tests/regression/Molecules/RotateToPrincipalAxisSystem/post/test-rotated-z90.xyz (moved)
	* tests/regression/Molecules/RotateToPrincipalAxisSystem/pre/test-rotated-xYz20.xyz (moved)
	* tests/regression/Molecules/RotateToPrincipalAxisSystem/pre/test-rotated-z180.xyz (moved)
	* tests/regression/Molecules/RotateToPrincipalAxisSystem/pre/test-rotated-z360.xyz (moved)
	* tests/regression/Molecules/RotateToPrincipalAxisSystem/pre/test-rotated-z90.xyz (moved)
	* tests/regression/Molecules/RotateToPrincipalAxisSystem/testsuite-molecules-rotate-to-principal-axis-system.at (added)
	* tests/regression/Molecules/SaveAdjacency/post/test.adj (moved)
	* tests/regression/Molecules/SaveAdjacency/pre/test.conf (moved)
	* tests/regression/Molecules/SaveAdjacency/testsuite-molecules-save-adjacency.at (added)
	* tests/regression/Molecules/SaveBonds/post/test.dbond (moved)
	* tests/regression/Molecules/SaveBonds/pre/test.conf (added)
	* tests/regression/Molecules/SaveBonds/testsuite-molecules-save-bonds.at (added)
	* tests/regression/Molecules/SaveTemperature/post/test.ekin (moved)
	* tests/regression/Molecules/SaveTemperature/pre/test.conf (moved)
	* tests/regression/Molecules/SaveTemperature/testsuite-molecules-save-temperature.at (added)
	* tests/regression/Molecules/Translation-Periodic/post/test.conf (moved)
	* tests/regression/Molecules/Translation-Periodic/pre/test.conf (moved)
	* tests/regression/Molecules/Translation-Periodic/testsuite-molecules-translation-periodic.at (added)
	* tests/regression/Molecules/Translation/post/test.conf (moved)
	* tests/regression/Molecules/Translation/post/test2.conf (moved)
	* tests/regression/Molecules/Translation/pre/test.conf (moved)
	* tests/regression/Molecules/Translation/pre/test2.conf (moved)
	* tests/regression/Molecules/Translation/testsuite-molecules-translation.at (added)
	* tests/regression/Molecules/VerletIntegration/pre/test.conf (moved)
	* tests/regression/Molecules/VerletIntegration/pre/test.forces (moved)
	* tests/regression/Molecules/VerletIntegration/testsuite-molecules-verlet-integration.at (added)
	* tests/regression/Molecules/testsuite-molecules.at (added)
	* tests/regression/testsuite-molecules.at (deleted)
	* tests/regression/testsuite.at (modified)

	Changed regression testsuite structure of Molecules.

	- all numbered ...


Fri, 04 Feb 2011 19:10:27 GMT Frederik Heber <heber@…> [70269a]
	* src/Actions/FragmentationAction/SubgraphDissectionAction.def (modified)
	* tests/regression/Graph/DepthFirstSearch/post/test.conf (moved)
	* tests/regression/Graph/DepthFirstSearch/pre/test.conf (moved)
	* tests/regression/Graph/DepthFirstSearch/testsuite-graph-depth-first-search.at (added)
	* tests/regression/Graph/SubgraphDissection/pre/test.conf (moved)
	* tests/regression/Graph/SubgraphDissection/testsuite-graph-subgraph-dissection.at (added)
	* tests/regression/Graph/testsuite-graph.at (added)
	* tests/regression/Makefile.am (modified)
	* tests/regression/testsuite-graph.at (deleted)
	* tests/regression/testsuite.at (modified)

	Changed regression testsuite structure of Graph.

	- all numbered ...


Fri, 04 Feb 2011 18:57:41 GMT Frederik Heber <heber@…> [8a957e]
	* src/Actions/WorldAction/AddEmptyBoundaryAction.def (modified)
	* tests/regression/Domain/AddEmptyBoundary/post/test.conf (moved)
	* tests/regression/Domain/AddEmptyBoundary/pre/test.conf (moved)
	* tests/regression/Domain/AddEmptyBoundary/testsuite-domain-add-empty-boundary.at (added)
	* tests/regression/Domain/CenterInBox/post/test.conf (moved)
	* tests/regression/Domain/CenterInBox/pre/test.conf (moved)
	* tests/regression/Domain/CenterInBox/testsuite-domain-center-in-box.at (added)
	* tests/regression/Domain/CenterOnEdge/post/test.conf (moved)
	* tests/regression/Domain/CenterOnEdge/pre/test.conf (moved)
	* tests/regression/Domain/CenterOnEdge/testsuite-domain-center-on-edge.at (added)
	* tests/regression/Domain/ChangeBox/post/test.conf (moved)
	* tests/regression/Domain/ChangeBox/testsuite-domain-change-box.at (added)
	* tests/regression/Domain/RepeatBox/post/test-x.xyz (moved)
	* tests/regression/Domain/RepeatBox/post/test-y.xyz (moved)
	* tests/regression/Domain/RepeatBox/post/test-z.xyz (moved)
	* tests/regression/Domain/RepeatBox/post/test.xyz (moved)
	* tests/regression/Domain/RepeatBox/pre/test.conf (moved)
	* tests/regression/Domain/RepeatBox/testsuite-domain-repeat-box.at (added)
	* tests/regression/Domain/ScaleBox/post/test.conf (moved)
	* tests/regression/Domain/ScaleBox/pre/test.conf (moved)
	* tests/regression/Domain/ScaleBox/testsuite-domain-scale-box.at (added)
	* tests/regression/Domain/testsuite-domain.at (added)
	* tests/regression/Makefile.am (modified)
	* tests/regression/testsuite-domain.at (deleted)
	* tests/regression/testsuite.at (modified)

	Changed regression testsuite structure of Domain.

	- all numbered ...


Fri, 04 Feb 2011 18:56:38 GMT Frederik Heber <heber@…> [f0d1f0]
	* tests/regression/testsuite.at (modified)

	Inserted manner how to avoid warning about muplitply included ...


Fri, 04 Feb 2011 18:56:38 GMT Frederik Heber <heber@…> [17f3cd]
	* tests/regression/Fragmentation/2ndOrder/post/BondFragment0.conf (moved)
	* tests/regression/Fragmentation/2ndOrder/post/BondFragment0.xyz (moved)
	* tests/regression/Fragmentation/2ndOrder/post/BondFragment1.conf (moved)
	* tests/regression/Fragmentation/2ndOrder/post/BondFragment1.xyz (moved)
	* tests/regression/Fragmentation/2ndOrder/post/BondFragment2.conf (moved)
	* tests/regression/Fragmentation/2ndOrder/post/BondFragment2.xyz (moved)
	* tests/regression/Fragmentation/2ndOrder/post/BondFragment3.conf (moved)
	* tests/regression/Fragmentation/2ndOrder/post/BondFragment3.xyz (moved)
	* tests/regression/Fragmentation/2ndOrder/post/BondFragment4.conf (moved)
	* tests/regression/Fragmentation/2ndOrder/post/BondFragment4.xyz (moved)
	* tests/regression/Fragmentation/2ndOrder/post/BondFragmentAdjacency.dat (moved)
	* tests/regression/Fragmentation/2ndOrder/post/BondFragmentForces-Factors.dat (moved)
	* tests/regression/Fragmentation/2ndOrder/post/BondFragmentKeySets.dat (moved)
	* tests/regression/Fragmentation/2ndOrder/post/BondFragmentOrderAtSite.dat (moved)
	* tests/regression/Fragmentation/2ndOrder/post/BondFragmentTE-Factors.dat (moved)
	* tests/regression/Fragmentation/2ndOrder/post/test.conf (moved)
	* tests/regression/Fragmentation/2ndOrder/pre/test.conf (moved)
	* tests/regression/Fragmentation/ConfigCheck/pre/test.conf (moved)
	* tests/regression/Fragmentation/MaxOrder/pre/test.conf (moved)
	* tests/regression/Fragmentation/testsuite-fragmentation-2nd-order.at (added)
	* tests/regression/Fragmentation/testsuite-fragmentation-config-check.at (added)
	* tests/regression/Fragmentation/testsuite-fragmentation-maxorder.at (added)
	* tests/regression/Fragmentation/testsuite-fragmentation.at (added)
	* tests/regression/Makefile.am (modified)
	* tests/regression/testsuite-fragmentation.at (deleted)
	* tests/regression/testsuite.at (modified)

	Placed regression tests Fragmentation into own folder and one file ...


Thu, 03 Feb 2011 09:51:19 GMT Frederik Heber <heber@…> [3f9eba]
	* configure.ac (modified)
	* src/Actions/Makefile.am (modified)
	* src/Actions/RandomNumbersAction/SetRandomNumbersDistributionAction.cpp (added)
	* src/Actions/RandomNumbersAction/SetRandomNumbersDistributionAction.def (added)
	* src/Actions/RandomNumbersAction/SetRandomNumbersDistributionAction.hpp (added)
	* src/Actions/RandomNumbersAction/SetRandomNumbersEngineAction.cpp (added)
	* src/Actions/RandomNumbersAction/SetRandomNumbersEngineAction.def (added)
	* src/Actions/RandomNumbersAction/SetRandomNumbersEngineAction.hpp (added)
	* src/Makefile.am (modified)
	* src/RandomNumbers/RandomNumberDistribution.hpp (added)
	* src/RandomNumbers/RandomNumberDistribution_Encapsulation.hpp (added)
	* src/RandomNumbers/RandomNumberEngine.hpp (added)
	* src/RandomNumbers/RandomNumberEngine_Encapsulation.hpp (added)
	* src/RandomNumbers/RandomNumberGenerator.cpp (added)
	* src/RandomNumbers/RandomNumberGenerator.hpp (added)
	* src/RandomNumbers/RandomNumberGeneratorFactory.cpp (added)
	* src/RandomNumbers/RandomNumberGeneratorFactory.def (added)
	* src/RandomNumbers/RandomNumberGeneratorFactory.hpp (added)
	* src/RandomNumbers/RandomNumberGeneratorFactory.undef (added)
	* src/RandomNumbers/RandomNumberGenerator_Encapsulation.hpp (added)
	* src/RandomNumbers/TemplatePowerSetGenerator.hpp (added)
	* src/RandomNumbers/unittests/Makefile.am (added)
	* src/RandomNumbers/unittests/RandomNumberGeneratorFactoryUnitTest.cpp (added)
	* src/RandomNumbers/unittests/RandomNumberGeneratorFactoryUnitTest.hpp (added)
	* src/builder_init.cpp (modified)
	* src/unittests/Makefile.am (modified)
	* tests/regression/Makefile.am (modified)
	* tests/regression/RandomNumbers/Distribution/testsuite-set-random-number-distribution.at (added)
	* tests/regression/RandomNumbers/Engine/testsuite-set-random-number-engine.at (added)
	* tests/regression/RandomNumbers/testsuite-randomnumbers.at (added)
	* tests/regression/testsuite.at (modified)

	New classes for random number generation.

	- we use boost::random as ...


Thu, 03 Feb 2011 09:51:19 GMT Frederik Heber <heber@…> [4782599]
	* src/Actions/AnalysisAction/PrincipalAxisSystemAction.cpp (modified)
	* tests/regression/Analysis/PrincipalAxisSystem/pre/water.xyz (moved)
	* tests/regression/Analysis/PrincipalAxisSystem/testsuite-analysis-principal-axis-system.at (moved)
	* tests/regression/Analysis/testsuite-analysis.at (modified)
	* tests/regression/Makefile.am (modified)
	* tests/regression/testsuite.at (modified)

	FIX: new regression test for PrincipalAxisSystemAction is prone to ...


Thu, 03 Feb 2011 09:51:19 GMT Frederik Heber <heber@…> [cd7a87]
	* tests/regression/Analysis/5/pre/test.conf (deleted)
	* tests/regression/Analysis/5/pre/water.xyz (added)
	* tests/regression/Analysis/6/post/emptybox_histogram.dat (added)
	* tests/regression/Analysis/6/post/hydrogenbox_histogram.dat (added)
	* tests/regression/Analysis/testsuite-analysis-angular-dipole-correlation-discrete-angles.at (added)
	* tests/regression/Analysis/testsuite-analysis-angular-dipole-correlation-empty.at (added)
	* tests/regression/Analysis/testsuite-analysis-angular-dipole-correlation-random-distribution.at (added)
	* tests/regression/Analysis/testsuite-analysis-pair-correlation.at (added)
	* tests/regression/Analysis/testsuite-analysis-point-correlation.at (added)
	* tests/regression/Analysis/testsuite-analysis-principal-axis-system.at (added)
	* tests/regression/Analysis/testsuite-analysis-surface-correlation.at (added)
	* tests/regression/Analysis/testsuite-analysis.at (added)
	* tests/regression/Makefile.am (modified)
	* tests/regression/testsuite-analysis.at (deleted)
	* tests/regression/testsuite.at (modified)

	Refactored Analysis regression tests, added angular dipole ...


Thu, 03 Feb 2011 09:51:18 GMT Frederik Heber <heber@…> [d6f886]
	* src/Actions/MoleculeAction/FillVoidWithMoleculeAction.cpp (modified)
	* src/Actions/MoleculeAction/FillVoidWithMoleculeAction.def (modified)
	* src/Actions/MoleculeAction/FillWithMoleculeAction.cpp (modified)
	* src/Actions/MoleculeAction/FillWithMoleculeAction.def (modified)
	* tests/regression/Filling/testsuite-fill-void-with-molecule.at (moved)
	* tests/regression/Filling/testsuite-fill-with-molecule.at (added)
	* tests/regression/Filling/testsuite-filling.at (added)
	* tests/regression/Filling/testsuite-suspend-in-water.at (added)
	* tests/regression/Makefile.am (modified)
	* tests/regression/testsuite.at (modified)

	changed stupid --lengths parameter of fill...-with-molecule into ...


Thu, 16 Dec 2010 17:32:22 GMT Frederik Heber <heber@…> [512f85]
	* tests/regression/Makefile.am (modified)
	* tests/regression/Selection/1/post/allatoms.xyz (deleted)
	* tests/regression/Selection/Atoms/1/post/allatoms.xyz (added)
	* tests/regression/Selection/Atoms/1/post/id0_missing.xyz (added)
	* tests/regression/Selection/Atoms/1/pre/box.xyz (moved)
	* tests/regression/Selection/Atoms/2/post/allatomsinsidecuboid.xyz (added)
	* tests/regression/Selection/Atoms/2/post/allatomsoutsidecuboid.xyz (added)
	* tests/regression/Selection/Atoms/2/post/box.xyz (added)
	* tests/regression/Selection/Atoms/2/post/empty.xyz (added)
	* tests/regression/Selection/Atoms/2/pre/box.xyz (added)
	* tests/regression/Selection/Atoms/3/post/allatomsinsidesphere.xyz (added)
	* tests/regression/Selection/Atoms/3/post/allatomsoutsidesphere.xyz (added)
	* tests/regression/Selection/Atoms/3/post/empty.xyz (added)
	* tests/regression/Selection/Atoms/3/post/inversesphere.xyz (added)
	* tests/regression/Selection/Atoms/3/post/sphere.xyz (added)
	* tests/regression/Selection/Atoms/3/post/test.xyz (added)
	* tests/regression/Selection/Atoms/3/pre/box.xyz (added)
	* tests/regression/Selection/Atoms/4/post/empty.xyz (added)
	* tests/regression/Selection/Atoms/4/post/molecule0.xyz (added)
	* tests/regression/Selection/Atoms/4/post/molecule1.xyz (added)
	* tests/regression/Selection/Atoms/4/pre/test.xyz (added)
	* tests/regression/Selection/Atoms/5/post/test-Be_missing.xyz (added)
	* tests/regression/Selection/Atoms/5/post/test-H_missing.xyz (added)
	* tests/regression/Selection/Atoms/5/post/test.xyz (added)
	* tests/regression/Selection/Atoms/5/pre/test.xyz (added)
	* tests/regression/Selection/Atoms/6/post/empty.xyz (added)
	* tests/regression/Selection/Atoms/6/post/id0_missing.xyz (added)
	* tests/regression/Selection/Atoms/6/post/id0_present.xyz (added)
	* tests/regression/Selection/Atoms/6/post/id1_missing.xyz (added)
	* tests/regression/Selection/Atoms/6/post/id1_present.xyz (added)
	* tests/regression/Selection/Atoms/6/post/id2_missing.xyz (added)
	* tests/regression/Selection/Atoms/6/post/id2_present.xyz (added)
	* tests/regression/Selection/Atoms/6/post/id3_missing.xyz (added)
	* tests/regression/Selection/Atoms/6/post/id3_present.xyz (added)
	* tests/regression/Selection/Atoms/6/post/id4_missing.xyz (added)
	* tests/regression/Selection/Atoms/6/post/id4_present.xyz (added)
	* tests/regression/Selection/Atoms/6/post/id5_missing.xyz (added)
	* tests/regression/Selection/Atoms/6/post/id5_present.xyz (added)
	* tests/regression/Selection/Atoms/6/post/id6_missing.xyz (added)
	* tests/regression/Selection/Atoms/6/post/id6_present.xyz (added)
	* tests/regression/Selection/Atoms/6/post/id7_missing.xyz (added)
	* tests/regression/Selection/Atoms/6/post/id7_present.xyz (added)
	* tests/regression/Selection/Atoms/6/pre/test.xyz (added)
	* tests/regression/Selection/Atoms/7/post/id0_missing.xyz (added)
	* tests/regression/Selection/Atoms/7/pre/box.xyz (added)
	* tests/regression/Selection/Atoms/testsuite-selection-all-atoms.at (added)
	* tests/regression/Selection/Atoms/testsuite-selection-atom-by-id.at (added)
	* tests/regression/Selection/Atoms/testsuite-selection-atoms-by-element.at (added)
	* tests/regression/Selection/Atoms/testsuite-selection-atoms-inside-cuboid.at (added)
	* tests/regression/Selection/Atoms/testsuite-selection-atoms-inside-sphere.at (added)
	* tests/regression/Selection/Atoms/testsuite-selection-atoms-of-molecule.at (added)
	* tests/regression/Selection/Atoms/testsuite-selection-clear-atoms.at (added)
	* tests/regression/Selection/testsuite-selection.at (added)
	* tests/regression/testsuite-selection.at (deleted)
	* tests/regression/testsuite.at (modified)

	Added regression test for each SelectionAction on atoms.

	- Moved ...


Thu, 16 Dec 2010 17:32:22 GMT Frederik Heber <heber@…> [17c1a8]
	* tests/regression/Makefile.am (modified)
	* tests/regression/Selection/1/post/allatoms.xyz (added)
	* tests/regression/Selection/1/pre/box.xyz (added)
	* tests/regression/testsuite-selection.at (added)
	* tests/regression/testsuite.at (modified)

	Added regression test for SelectionAction to testsuite.

	- so far ...


Tue, 17 Aug 2010 12:28:29 GMT Ralf Wildenhues <wildenhues@…> [f30490]
	* configure.ac (modified)
	* tests/regression/testsuite.at (modified)

	Enable colored testsuite output if available.

	* configure.ac: ...


Sun, 30 May 2010 20:55:12 GMT Frederik Heber <heber@…> [8c574b]
	* tests/regression/testsuite (added)
	* tests/regression/testsuite-analysis.at (added)
	* tests/regression/testsuite-domain.at (added)
	* tests/regression/testsuite-filling.at (added)
	* tests/regression/testsuite-fragmentation.at (added)
	* tests/regression/testsuite-graph.at (added)
	* tests/regression/testsuite-molecules.at (added)
	* tests/regression/testsuite-simple_configuration.at (added)
	* tests/regression/testsuite-specifics.at (added)
	* tests/regression/testsuite-standard_options.at (added)
	* tests/regression/testsuite-tesselation.at (added)
	* tests/regression/testsuite.at (modified)

	Split up testsuite into several at-scripts.

	- the testsuite has ...


Sun, 30 May 2010 19:40:32 GMT Frederik Heber <heber@…> [afd01c]
	* tests/regression/Domain/6/post/test-x.conf (added)
	* tests/regression/Domain/6/post/test-y.conf (added)
	* tests/regression/Domain/6/post/test-z.conf (added)
	* tests/regression/Domain/6/post/test.conf (added)
	* tests/regression/Domain/6/pre/test.conf (added)
	* tests/regression/testsuite.at (modified)

	Added case '-d' (duplicate box) to testsuite.


Sun, 30 May 2010 19:05:43 GMT Frederik Heber <heber@…> [746c57]
	* tests/regression/Filling/2/pre/test.conf (added)
	* tests/regression/testsuite.at (modified)

	Added case '-u' (suspend in water) to testsuite.

	- this is broken ...


Sun, 30 May 2010 18:28:14 GMT Frederik Heber <heber@…> [d6d6c1]
	* tests/regression/Analysis/5/pre/test.conf (added)
	* tests/regression/Molecules/8/pre/test.conf (added)
	* tests/regression/testsuite.at (modified)

	Added case '-m' (principal axis system) to testsuite.


Sun, 30 May 2010 17:31:15 GMT Frederik Heber <heber@…> [8048a4]
	* tests/regression/Domain/5/post/test.conf (added)
	* tests/regression/Domain/5/pre/test.conf (added)
	* tests/regression/testsuite.at (modified)

	Added case '-s' (scaling box) to testsuite.


Sun, 30 May 2010 17:29:38 GMT Frederik Heber <heber@…> [eddea2]
	* src/molecule.hpp (modified)
	* src/molecule_geometry.cpp (modified)
	* src/vector.cpp (modified)
	* tests/regression/Molecules/7/post/test.conf (added)
	* tests/regression/Molecules/7/pre/test.conf (added)
	* tests/regression/testsuite.at (modified)

	Added case '-T' (periodic translation) to testsuite.

	- BUGFIX: ...


Sun, 30 May 2010 16:55:04 GMT Frederik Heber <heber@…> [5d12d2]
	* tests/regression/Molecules/6/post/test.conf (added)
	* tests/regression/Molecules/6/pre/test.conf (added)
	* tests/regression/testsuite.at (modified)

	Added case '-t' (translation) to testsuite.


Sun, 30 May 2010 16:51:45 GMT Frederik Heber <heber@…> [9b7db1]
	* src/builder.cpp (modified)
	* tests/regression/Simple_configuration/8/post/test.conf (added)
	* tests/regression/Simple_configuration/8/pre/test.conf (added)
	* tests/regression/testsuite.at (modified)

	Added case '-R' (removing atoms outside of sphere) to testsuite.

	- ...


Sun, 30 May 2010 16:09:06 GMT Frederik Heber <heber@…> [c7a473]
	* src/atom_trajectoryparticle.cpp (modified)
	* src/molecule_dynamics.cpp (modified)
	* tests/regression/Molecules/5/pre/test.conf (added)
	* tests/regression/Molecules/5/pre/test.forces (added)
	* tests/regression/testsuite.at (modified)

	Added cased '-P' (force integration) to testsuite.

	- this is ...


Sun, 30 May 2010 15:38:38 GMT Frederik Heber <heber@…> [f8f14d]
	* src/builder.cpp (modified)
	* tests/regression/Molecules/4/post/test.conf (added)
	* tests/regression/Molecules/4/pre/test.conf (added)
	* tests/regression/testsuite.at (modified)

	Added case '-L' (linear interpolation) to testsuite.

	- this just ...


Sun, 30 May 2010 15:30:32 GMT Frederik Heber <heber@…> [13bfeb]
	* tests/regression/Molecules/3/post/test.ekin (added)
	* tests/regression/Molecules/3/pre/test.conf (added)
	* tests/regression/testsuite.at (modified)

	Added case '-S' (storing temperature) to testsuite.

	- made three ...


Sun, 30 May 2010 15:24:29 GMT Frederik Heber <heber@…> [72e36f]
	* tests/regression/Molecules/2/post/test.adj (added)
	* tests/regression/Molecules/2/post/test.dbond (added)
	* tests/regression/Molecules/2/pre/test.conf (added)
	* tests/regression/testsuite.at (modified)

	Added cases '-j' (storing bonds) and '-J' (storing adjacency) to ...


Sun, 30 May 2010 15:18:50 GMT Frederik Heber <heber@…> [c68c90]
	* src/builder.cpp (modified)
	* src/molecule_graph.cpp (modified)
	* tests/regression/Molecules/1/pre/test.conf (added)
	* tests/regression/Molecules/1/pre/test.dbond (added)
	* tests/regression/testsuite.at (modified)

	Added case '-A' (parsing bonds) to testsuite.

	- ...


Sun, 30 May 2010 14:46:39 GMT Frederik Heber <heber@…> [1325ba]
	* tests/regression/Filling/1/post/test.conf (added)
	* tests/regression/Filling/1/pre/test.conf (added)
	* tests/regression/testsuite.at (modified)

	Added case '-F' (filling with molecule) to testsuite.


Sun, 30 May 2010 13:58:31 GMT Frederik Heber <heber@…> [ef2b39]
	* tests/regression/Analysis/4/post/bin_output.csv (added)
	* tests/regression/Analysis/4/post/output.csv (added)
	* tests/regression/Analysis/4/pre/test.conf (added)
	* tests/regression/testsuite.at (modified)

	Added case '-C S' (correlation to surface) to testsuite.

	- created ...


Sun, 30 May 2010 13:42:26 GMT Frederik Heber <heber@…> [08f6ff]
	* src/builder.cpp (modified)
	* tests/regression/Analysis/3/post/bin_output.csv (added)
	* tests/regression/Analysis/3/post/output.csv (added)
	* tests/regression/Analysis/3/pre/test.conf (added)
	* tests/regression/testsuite.at (modified)

	Added case '-C P' (correlation to point) to testsuite.

	- DOCUFIX: ...


Sun, 30 May 2010 13:41:37 GMT Frederik Heber <heber@…> [06f8ee]
	* src/builder.cpp (modified)
	* tests/regression/Analysis/1/post/bin_output.csv (added)
	* tests/regression/Analysis/1/post/output.csv (added)
	* tests/regression/Analysis/1/pre/test.conf (added)
	* tests/regression/Analysis/2/post/bin_output-10.csv (added)
	* tests/regression/Analysis/2/post/bin_output-20.csv (added)
	* tests/regression/Analysis/2/post/bin_output-5.csv (added)
	* tests/regression/Analysis/2/post/output-10.csv (added)
	* tests/regression/Analysis/2/post/output-20.csv (added)
	* tests/regression/Analysis/2/post/output-5.csv (added)
	* tests/regression/Analysis/2/pre/test.conf (added)
	* tests/regression/testsuite.at (modified)

	Added case '-C E' (pair correlation analysis) to testsuite.

	- ...


Sun, 30 May 2010 11:51:28 GMT Frederik Heber <heber@…> [046a1e]
	* tests/regression/Graph/2/pre/test.conf (added)
	* tests/regression/testsuite.at (modified)

	Added case '-I' (subgraph dissection) to testsuite.

	- constructed ...


Sun, 30 May 2010 11:32:05 GMT Frederik Heber <heber@…> [5188f5]
	* src/builder.cpp (modified)
	* tests/regression/testsuite.at (modified)

	Added case '-M' (MPQC basis) to testsuite.

	- ...


Sun, 30 May 2010 11:05:54 GMT Frederik Heber <heber@…> [93d732b]
	* src/World.cpp (modified)
	* src/builder.cpp (modified)
	* tests/regression/testsuite.at (modified)

	Added case '-X' (default mol name) to testsuite and bugfix.

	- ...


Sun, 30 May 2010 10:57:14 GMT Frederik Heber <heber@…> [e8e48ab]
	* tests/regression/testsuite.at (modified)

	Added case '-n' (fast parsing) to testsuite.


Sun, 30 May 2010 10:57:01 GMT Frederik Heber <heber@…> [403637]
	* tests/regression/testsuite.at (modified)

	Added case '-g' (load bond table) to testsuite.


Sun, 30 May 2010 10:53:16 GMT Frederik Heber <heber@…> [ff73a2]
	* src/periodentafel.cpp (modified)
	* tests/regression/testsuite.at (modified)

	Refined check for case '-e' of testsuite and some found bugfixes of ...


Sun, 30 May 2010 10:00:41 GMT Frederik Heber <heber@…> [2f0c42]
	* tests/regression/testsuite.at (modified)

	Added test for parsing specified element database to testsuite.


Sun, 30 May 2010 09:54:26 GMT Frederik Heber <heber@…> [a97f55]
	* tests/regression/testsuite.at (modified)

	Extended standard options part of testsuite to include further tests.


Sun, 30 May 2010 09:49:37 GMT Frederik Heber <heber@…> [745874]
	* tests/regression/Domain/4/post/test.conf (added)
	* tests/regression/Domain/4/pre/test.conf (added)
	* tests/regression/testsuite.at (modified)

	Added case '-O' to testsuite.


Sun, 30 May 2010 09:45:41 GMT Frederik Heber <heber@…> [0335a2]
	* tests/regression/Domain/3/post/test.conf (added)
	* tests/regression/Domain/3/pre/test.conf (added)
	* tests/regression/testsuite.at (modified)

	Added case '-c' to testsuite.


Sun, 30 May 2010 09:18:14 GMT Frederik Heber <heber@…> [b2b47f]
	* configure.ac (modified)
	* tests/Makefile.am (modified)
	* tests/regression/Makefile.am (added)
	* tests/regression/atlocal.in (moved)
	* tests/regression/molecuilder.in (moved)
	* tests/regression/testsuite.at (moved)

	Shifted regression testsuite into folder regression.

	This is to ...