#
# ChangeLog for tests/regression/Parser
#
# Generated by Trac 1.4.4
# Jan 2, 2025, 8:41:11 PM

Thu, 22 Sep 2011 12:50:41 GMT Frederik Heber <heber@…> [718542]
	* src/Actions/SelectionAction/Molecules/AllMoleculesAction.cpp (modified)
	* src/Actions/SelectionAction/Molecules/ClearAllMoleculesAction.cpp (modified)
	* src/Actions/SelectionAction/Molecules/MoleculeByFormulaAction.cpp (modified)
	* src/Actions/SelectionAction/Molecules/MoleculeByIdAction.cpp (modified)
	* src/Actions/SelectionAction/Molecules/MoleculeByNameAction.cpp (modified)
	* src/Actions/SelectionAction/Molecules/MoleculeByOrderAction.cpp (modified)
	* src/Actions/SelectionAction/Molecules/MoleculeOfAtomAction.cpp (modified)
	* src/Actions/SelectionAction/Molecules/NotAllMoleculesAction.cpp (modified)
	* src/Actions/SelectionAction/Molecules/NotMoleculeByFormulaAction.cpp (modified)
	* src/Actions/SelectionAction/Molecules/NotMoleculeByIdAction.cpp (modified)
	* src/Actions/SelectionAction/Molecules/NotMoleculeByNameAction.cpp (modified)
	* src/Actions/SelectionAction/Molecules/NotMoleculeByOrderAction.cpp (modified)
	* src/Actions/SelectionAction/Molecules/NotMoleculeOfAtomAction.cpp (modified)
	* tests/regression/Analysis/AngularDipoleCorrelation-DiscreteAngles/testsuite-analysis-angular-dipole-correlation-discrete-angles.at (modified)
	* tests/regression/Analysis/AngularDipoleCorrelation-Empty/testsuite-analysis-angular-dipole-correlation-empty.at (modified)
	* tests/regression/Analysis/PairCorrelation-RangeTest/testsuite-analysis-pair-correlation-range-test.at (modified)
	* tests/regression/Analysis/PairCorrelation/testsuite-analysis-pair-correlation.at (modified)
	* tests/regression/Analysis/PointCorrelation/testsuite-analysis-point-correlation.at (modified)
	* tests/regression/Analysis/PrincipalAxisSystem/testsuite-analysis-principal-axis-system.at (modified)
	* tests/regression/Analysis/SurfaceCorrelation/testsuite-analysis-surface-correlation.at (modified)
	* tests/regression/Atoms/Add/testsuite-atoms-add.at (modified)
	* tests/regression/Atoms/ChangeElement/testsuite-atoms-change-element.at (modified)
	* tests/regression/Atoms/Remove/testsuite-atoms-remove.at (modified)
	* tests/regression/Atoms/RemoveCuboid/testsuite-atoms-remove-cuboid.at (modified)
	* tests/regression/Atoms/RemoveSphere/testsuite-atoms-remove-sphere.at (modified)
	* tests/regression/Atoms/SaveSelectedAtoms/testsuite-atoms-save-selected-atoms.at (modified)
	* tests/regression/Atoms/Translation/testsuite-atoms-translation.at (modified)
	* tests/regression/Domain/AddEmptyBoundary/testsuite-domain-add-empty-boundary.at (modified)
	* tests/regression/Domain/CenterInBox/testsuite-domain-center-in-box.at (modified)
	* tests/regression/Domain/CenterOnEdge/testsuite-domain-center-on-edge.at (modified)
	* tests/regression/Domain/ChangeBox/post/test-undo.conf (added)
	* tests/regression/Domain/ChangeBox/testsuite-domain-change-box.at (modified)
	* tests/regression/Domain/RepeatBox/testsuite-domain-repeat-box.at (modified)
	* tests/regression/Domain/ScaleBox/testsuite-domain-scale-box.at (modified)
	* tests/regression/Filling/FillVoidWithMolecule/testsuite-fill-void-with-molecule.at (modified)
	* tests/regression/Filling/FillVoidWithMolecule/testsuite-fill-void-with-tenside-molecule.at (modified)
	* tests/regression/Filling/FillWithMolecule/testsuite-fill-with-molecule.at (modified)
	* tests/regression/Filling/SuspendInWater/testsuite-suspend-in-water.at (modified)
	* tests/regression/Fragmentation/FragmentMolecule/testsuite-fragmentation-fragment-molecule.at (modified)
	* tests/regression/Graph/DepthFirstSearch/testsuite-graph-depth-first-search.at (modified)
	* tests/regression/Graph/SubgraphDissection/testsuite-graph-subgraph-dissection.at (modified)
	* tests/regression/Molecules/BondFile/testsuite-molecules-fragmentation-bond-file.at (modified)
	* tests/regression/Molecules/BondFile/testsuite-molecules-tremolo-dbond-file.at (modified)
	* tests/regression/Molecules/Copy/testsuite-molecules-copy-molecule.at (modified)
	* tests/regression/Molecules/LinearInterpolationofTrajectories/testsuite-molecules-linear-interpolation-of-trajectories.at (modified)
	* tests/regression/Molecules/RotateAroundOrigin/testsuite-molecules-rotate-around-origin.at (modified)
	* tests/regression/Molecules/RotateAroundSelf/testsuite-molecules-rotate-around-self.at (modified)
	* tests/regression/Molecules/RotateToPrincipalAxisSystem/testsuite-molecules-rotate-to-principal-axis-system.at (modified)
	* tests/regression/Molecules/SaveAdjacency/testsuite-molecules-save-adjacency.at (modified)
	* tests/regression/Molecules/SaveBonds/testsuite-molecules-save-bonds.at (modified)
	* tests/regression/Molecules/SaveSelectedMolecules/testsuite-molecules-save-selected-molecules.at (modified)
	* tests/regression/Molecules/SaveTemperature/testsuite-molecules-save-temperature.at (modified)
	* tests/regression/Molecules/Translation-Periodic/testsuite-molecules-translation-periodic.at (modified)
	* tests/regression/Molecules/Translation/testsuite-molecules-translation.at (modified)
	* tests/regression/Molecules/VerletIntegration/testsuite-molecules-verlet-integration.at (modified)
	* tests/regression/Options/BondLengthTable/testsuite-options-bond-length-table.at (modified)
	* tests/regression/Options/ElementsDb/testsuite-options-elements-db.at (modified)
	* tests/regression/Options/ElementsDb/testsuite-options-no-elements-db.at (modified)
	* tests/regression/Options/Empty/testsuite-options-empty-configs.at (modified)
	* tests/regression/Options/FastParsing/testsuite-options-fast-parsing.at (modified)
	* tests/regression/Options/Help/testsuite-options-help.at (modified)
	* tests/regression/Options/InvalidCommands/testsuite-options-invalid-commands.at (modified)
	* tests/regression/Options/SetDefaultName/testsuite-options-set-default-name.at (modified)
	* tests/regression/Options/SetWorldTime/testsuite-options-set-world-time.at (modified)
	* tests/regression/Options/Verbosity/testsuite-options-verbosity.at (modified)
	* tests/regression/Options/Warranty/testsuite-options-warranty.at (modified)
	* tests/regression/Parser/Mpqc-SetParameters/testsuite-parser-mpqc-set-parameters-basis.at (modified)
	* tests/regression/Parser/Mpqc-SetParameters/testsuite-parser-mpqc-set-parameters-maxiterations.at (modified)
	* tests/regression/Parser/Mpqc-SetParameters/testsuite-parser-mpqc-set-parameters-theory.at (modified)
	* tests/regression/Parser/Mpqc-SetParameters/testsuite-parser-mpqc-set-parameters.at (modified)
	* tests/regression/Parser/Mpqc/testsuite-parser-mpqc-empty.at (modified)
	* tests/regression/Parser/Mpqc/testsuite-parser-mpqc-load.at (modified)
	* tests/regression/Parser/Mpqc/testsuite-parser-mpqc-save.at (modified)
	* tests/regression/Parser/Pcp/testsuite-parser-pcp-empty.at (modified)
	* tests/regression/Parser/Pcp/testsuite-parser-pcp-load.at (modified)
	* tests/regression/Parser/Pcp/testsuite-parser-pcp-multiple-timesteps.at (modified)
	* tests/regression/Parser/Pcp/testsuite-parser-pcp-save.at (modified)
	* tests/regression/Parser/Pdb/testsuite-parser-pdb-empty.at (modified)
	* tests/regression/Parser/Pdb/testsuite-parser-pdb-load.at (modified)
	* tests/regression/Parser/Pdb/testsuite-parser-pdb-multiple-timesteps.at (modified)
	* tests/regression/Parser/Pdb/testsuite-parser-pdb-save.at (modified)
	* tests/regression/Parser/Pdb/testsuite-parser-pdb-with-conects.at (modified)
	* tests/regression/Parser/Tremolo-Potentials/testsuite-parser-tremolo-potentials-load.at (modified)
	* tests/regression/Parser/Tremolo-Potentials/testsuite-parser-tremolo-potentials-save.at (modified)
	* tests/regression/Parser/Tremolo-Potentials/testsuite-parser-tremolo-potentials.at (modified)
	* tests/regression/Parser/Tremolo/testsuite-parser-tremolo-empty.at (modified)
	* tests/regression/Parser/Tremolo/testsuite-parser-tremolo-load.at (modified)
	* tests/regression/Parser/Tremolo/testsuite-parser-tremolo-save.at (modified)
	* tests/regression/Parser/Xyz/testsuite-parser-xyz-empty.at (modified)
	* tests/regression/Parser/Xyz/testsuite-parser-xyz-load.at (modified)
	* tests/regression/Parser/Xyz/testsuite-parser-xyz-multiple-timesteps.at (modified)
	* tests/regression/Parser/Xyz/testsuite-parser-xyz-save.at (modified)
	* tests/regression/RandomNumbers/Distribution/testsuite-set-random-number-distribution.at (modified)
	* tests/regression/RandomNumbers/Engine/testsuite-set-random-number-engine.at (modified)
	* tests/regression/Selection/Atoms/AllAtoms/testsuite-selection-select-all-atoms.at (modified)
	* tests/regression/Selection/Atoms/AllAtoms/testsuite-selection-unselect-all-atoms.at (modified)
	* tests/regression/Selection/Atoms/AllAtomsOfMolecule/testsuite-selection-select-all-atoms-of-molecule.at (modified)
	* tests/regression/Selection/Atoms/AllAtomsOfMolecule/testsuite-selection-unselect-all-atoms-of-molecule.at (modified)
	* tests/regression/Selection/Atoms/AtomByElement/testsuite-selection-select-atoms-by-element.at (modified)
	* tests/regression/Selection/Atoms/AtomByElement/testsuite-selection-unselect-atoms-by-element.at (modified)
	* tests/regression/Selection/Atoms/AtomById/testsuite-selection-select-atom-by-id.at (modified)
	* tests/regression/Selection/Atoms/AtomById/testsuite-selection-unselect-atom-by-id.at (modified)
	* tests/regression/Selection/Atoms/AtomsInsideCuboid/testsuite-selection-select-atoms-inside-cuboid-with-defaults.at (modified)
	* tests/regression/Selection/Atoms/AtomsInsideCuboid/testsuite-selection-select-atoms-inside-cuboid.at (modified)
	* tests/regression/Selection/Atoms/AtomsInsideCuboid/testsuite-selection-unselect-atoms-inside-cuboid.at (modified)
	* tests/regression/Selection/Atoms/AtomsInsideSphere/testsuite-selection-select-atoms-inside-sphere.at (modified)
	* tests/regression/Selection/Atoms/AtomsInsideSphere/testsuite-selection-unselect-atoms-inside-sphere.at (modified)
	* tests/regression/Selection/Atoms/ClearAtoms/testsuite-selection-clear-atoms.at (modified)
	* tests/regression/Selection/Molecules/AllMolecules/testsuite-selection-select-all-molecules.at (modified)
	* tests/regression/Selection/Molecules/AllMolecules/testsuite-selection-unselect-all-molecules.at (modified)
	* tests/regression/Selection/Molecules/ClearMolecules/testsuite-selection-clear-molecules.at (modified)
	* tests/regression/Selection/Molecules/MoleculeByFormula/testsuite-selection-select-molecules-by-formula.at (modified)
	* tests/regression/Selection/Molecules/MoleculeByFormula/testsuite-selection-unselect-molecules-by-formula.at (modified)
	* tests/regression/Selection/Molecules/MoleculeById/testsuite-selection-select-molecule-by-id.at (modified)
	* tests/regression/Selection/Molecules/MoleculeById/testsuite-selection-unselect-molecule-by-id.at (modified)
	* tests/regression/Selection/Molecules/MoleculeByName/testsuite-selection-select-molecules-by-name.at (modified)
	* tests/regression/Selection/Molecules/MoleculeByName/testsuite-selection-unselect-molecules-by-name.at (modified)
	* tests/regression/Selection/Molecules/MoleculeByOrder/testsuite-selection-select-molecule-by-order-backward.at (modified)
	* tests/regression/Selection/Molecules/MoleculeByOrder/testsuite-selection-select-molecule-by-order-forward.at (modified)
	* tests/regression/Selection/Molecules/MoleculeByOrder/testsuite-selection-unselect-molecule-by-order-backward.at (modified)
	* tests/regression/Selection/Molecules/MoleculeByOrder/testsuite-selection-unselect-molecule-by-order-forward.at (modified)
	* tests/regression/Selection/Molecules/MoleculeOfAtom/testsuite-selection-select-atoms-molecules.at (modified)
	* tests/regression/Selection/Molecules/MoleculeOfAtom/testsuite-selection-unselect-atoms-molecules.at (modified)
	* tests/regression/Tesselation/BigConvex/testsuite-tesselation-big-convex-envelope.at (modified)
	* tests/regression/Tesselation/BigNonConvex/testsuite-tesselation-big-non-convex-envelope.at (modified)
	* tests/regression/Tesselation/Convex/testsuite-tesselation-convex-envelope.at (modified)
	* tests/regression/Tesselation/NonConvex/testsuite-tesselation-non-convex-envelope.at (modified)

	Filled action's token as keyword in each test.

	- also all keywords ...


Wed, 21 Sep 2011 20:40:54 GMT Frederik Heber <heber@…> [520f93]
	* tests/regression/Makefile.am (modified)
	* tests/regression/Parser/Mpqc/testsuite-parser-mpqc-empty.at (added)
	* tests/regression/Parser/Mpqc/testsuite-parser-mpqc-load.at (moved)
	* tests/regression/Parser/Mpqc/testsuite-parser-mpqc-save.at (added)
	* tests/regression/Parser/Pcp/testsuite-parser-pcp-empty.at (added)
	* tests/regression/Parser/Pcp/testsuite-parser-pcp-load.at (moved)
	* tests/regression/Parser/Pcp/testsuite-parser-pcp-save.at (added)
	* tests/regression/Parser/Pdb/testsuite-parser-pdb-empty.at (added)
	* tests/regression/Parser/Pdb/testsuite-parser-pdb-load.at (moved)
	* tests/regression/Parser/Pdb/testsuite-parser-pdb-save.at (added)
	* tests/regression/Parser/Tremolo-Potentials/testsuite-parser-tremolo-potentials-load.at (added)
	* tests/regression/Parser/Tremolo-Potentials/testsuite-parser-tremolo-potentials-save.at (added)
	* tests/regression/Parser/Tremolo-Potentials/testsuite-parser-tremolo-potentials.at (modified)
	* tests/regression/Parser/Tremolo/testsuite-parser-tremolo-empty.at (added)
	* tests/regression/Parser/Tremolo/testsuite-parser-tremolo-load.at (added)
	* tests/regression/Parser/Tremolo/testsuite-parser-tremolo-save.at (added)
	* tests/regression/Parser/Tremolo/testsuite-parser-tremolo.at (deleted)
	* tests/regression/Parser/Xyz/testsuite-parser-xyz-empty.at (added)
	* tests/regression/Parser/Xyz/testsuite-parser-xyz-load.at (moved)
	* tests/regression/Parser/Xyz/testsuite-parser-xyz-save.at (added)
	* tests/regression/Parser/testsuite-parser.at (modified)

	Split testsuite*.at files in regressions/Parser.

	- one test per ...


Wed, 21 Sep 2011 20:04:30 GMT Frederik Heber <heber@…> [e69c87]
	* src/Actions/Action.cpp (modified)
	* src/Actions/ActionExceptions.hpp (added)
	* src/Actions/ActionHistory.cpp (modified)
	* src/Actions/CommandAction/VerboseAction.cpp (modified)
	* src/Actions/Makefile.am (modified)
	* src/Actions/MoleculeAction/BondFileAction.cpp (modified)
	* src/Actions/MoleculeAction/LoadAction.cpp (modified)
	* src/Actions/MoleculeAction/RotateAroundSelfByAngleAction.cpp (modified)
	* src/Actions/MoleculeAction/RotateToPrincipalAxisSystemAction.cpp (modified)
	* src/Actions/MoleculeAction/VerletIntegrationAction.cpp (modified)
	* src/boundary.cpp (modified)
	* src/builder_init.cpp (modified)
	* tests/regression/Analysis/AngularDipoleCorrelation-Empty/testsuite-analysis-angular-dipole-correlation-empty.at (modified)
	* tests/regression/Atoms/Add/testsuite-atoms-add.at (modified)
	* tests/regression/Atoms/ChangeElement/testsuite-atoms-change-element.at (modified)
	* tests/regression/Atoms/Remove/testsuite-atoms-remove.at (modified)
	* tests/regression/Atoms/RemoveCuboid/post/test-cuboid.xyz-sorted (moved)
	* tests/regression/Atoms/RemoveCuboid/post/test-withoutcuboid.xyz-sorted (moved)
	* tests/regression/Atoms/RemoveCuboid/post/test.xyz-sorted (moved)
	* tests/regression/Atoms/RemoveCuboid/pre/test.xyz (moved)
	* tests/regression/Atoms/RemoveCuboid/testsuite-atoms-remove-cuboid.at (moved)
	* tests/regression/Atoms/RemoveSphere/post/test-sphere.xyz-sorted (moved)
	* tests/regression/Atoms/RemoveSphere/post/test-withoutsphere.xyz-sorted (moved)
	* tests/regression/Atoms/RemoveSphere/post/test.xyz-sorted (moved)
	* tests/regression/Atoms/RemoveSphere/pre/test.xyz (moved)
	* tests/regression/Atoms/RemoveSphere/testsuite-atoms-remove-sphere.at (moved)
	* tests/regression/Atoms/Translation/testsuite-atoms-translation.at (modified)
	* tests/regression/Atoms/testsuite-atoms.at (modified)
	* tests/regression/Domain/AddEmptyBoundary/testsuite-domain-add-empty-boundary.at (modified)
	* tests/regression/Domain/CenterInBox/testsuite-domain-center-in-box.at (modified)
	* tests/regression/Domain/CenterOnEdge/testsuite-domain-center-on-edge.at (modified)
	* tests/regression/Domain/RepeatBox/testsuite-domain-repeat-box.at (modified)
	* tests/regression/Domain/ScaleBox/testsuite-domain-scale-box.at (modified)
	* tests/regression/Filling/FillVoidWithMolecule/testsuite-fill-void-with-molecule.at (modified)
	* tests/regression/Filling/FillVoidWithMolecule/testsuite-fill-void-with-tenside-molecule.at (added)
	* tests/regression/Filling/FillWithMolecule/testsuite-fill-with-molecule.at (modified)
	* tests/regression/Filling/SuspendInWater/testsuite-suspend-in-water.at (modified)
	* tests/regression/Filling/testsuite-filling.at (modified)
	* tests/regression/Graph/SubgraphDissection/testsuite-graph-subgraph-dissection.at (modified)
	* tests/regression/Makefile.am (modified)
	* tests/regression/Molecules/BondFile/testsuite-molecules-bond-file.at (deleted)
	* tests/regression/Molecules/BondFile/testsuite-molecules-fragmentation-bond-file.at (added)
	* tests/regression/Molecules/BondFile/testsuite-molecules-tremolo-dbond-file.at (added)
	* tests/regression/Molecules/Copy/post/tensid-undo.data (added)
	* tests/regression/Molecules/Copy/post/test-undo.xyz (added)
	* tests/regression/Molecules/Copy/testsuite-molecules-copy-molecule.at (modified)
	* tests/regression/Molecules/RotateAroundOrigin/testsuite-molecules-rotate-around-origin.at (modified)
	* tests/regression/Molecules/RotateAroundSelf/testsuite-molecules-rotate-around-self.at (modified)
	* tests/regression/Molecules/RotateToPrincipalAxisSystem/testsuite-molecules-rotate-to-principal-axis-system.at (modified)
	* tests/regression/Molecules/Translation-Periodic/post/test-undo.conf (added)
	* tests/regression/Molecules/Translation-Periodic/testsuite-molecules-translation-periodic.at (modified)
	* tests/regression/Molecules/Translation/post/test-undo.conf (added)
	* tests/regression/Molecules/Translation/post/test2-undo.conf (added)
	* tests/regression/Molecules/Translation/testsuite-molecules-translation.at (modified)
	* tests/regression/Molecules/VerletIntegration/testsuite-molecules-verlet-integration.at (modified)
	* tests/regression/Molecules/testsuite-molecules.at (modified)
	* tests/regression/Options/BondLengthTable/testsuite-options-bond-length-table.at (modified)
	* tests/regression/Options/ElementsDb/testsuite-options-elements-db.at (modified)
	* tests/regression/Options/FastParsing/testsuite-options-fast-parsing.at (modified)
	* tests/regression/Options/Help/testsuite-options-help.at (modified)
	* tests/regression/Options/SetDefaultName/testsuite-options-set-default-name.at (modified)
	* tests/regression/Options/SetWorldTime/testsuite-options-set-world-time.at (modified)
	* tests/regression/Options/Verbosity/testsuite-options-verbosity.at (modified)
	* tests/regression/Parser/Mpqc-SetParameters/testsuite-parser-mpqc-set-parameters-basis.at (added)
	* tests/regression/Parser/Mpqc-SetParameters/testsuite-parser-mpqc-set-parameters-maxiterations.at (added)
	* tests/regression/Parser/Mpqc-SetParameters/testsuite-parser-mpqc-set-parameters-theory.at (added)
	* tests/regression/Parser/Mpqc-SetParameters/testsuite-parser-mpqc-set-parameters.at (modified)
	* tests/regression/Parser/Mpqc/testsuite-parser-mpqc.at (modified)
	* tests/regression/Parser/Pcp/post/empty.conf (added)
	* tests/regression/Parser/Pcp/testsuite-parser-pcp-multiple-timesteps.at (added)
	* tests/regression/Parser/Pcp/testsuite-parser-pcp.at (modified)
	* tests/regression/Parser/Pdb/post/empty.pdb (added)
	* tests/regression/Parser/Pdb/testsuite-parser-pdb-multiple-timesteps.at (added)
	* tests/regression/Parser/Pdb/testsuite-parser-pdb-with-conects.at (added)
	* tests/regression/Parser/Pdb/testsuite-parser-pdb.at (modified)
	* tests/regression/Parser/Tremolo/post/empty.data (added)
	* tests/regression/Parser/Tremolo/testsuite-parser-tremolo.at (modified)
	* tests/regression/Parser/Xyz/post/empty.xyz (added)
	* tests/regression/Parser/Xyz/testsuite-parser-xyz-multiple-timesteps.at (added)
	* tests/regression/Parser/Xyz/testsuite-parser-xyz.at (modified)
	* tests/regression/Parser/testsuite-parser.at (modified)
	* tests/regression/RandomNumbers/Distribution/testsuite-set-random-number-distribution.at (modified)
	* tests/regression/RandomNumbers/Engine/testsuite-set-random-number-engine.at (modified)
	* tests/regression/Selection/Atoms/AllAtoms/testsuite-selection-all-atoms.at (modified)
	* tests/regression/Selection/Atoms/AllAtomsOfMolecule/testsuite-selection-all-atoms-of-molecule.at (modified)
	* tests/regression/Selection/Atoms/AtomByElement/testsuite-selection-atoms-by-element.at (modified)
	* tests/regression/Selection/Atoms/AtomById/testsuite-selection-atom-by-id.at (modified)
	* tests/regression/Selection/Atoms/AtomsInsideCuboid/testsuite-selection-atoms-inside-cuboid.at (modified)
	* tests/regression/Selection/Atoms/AtomsInsideSphere/testsuite-selection-atoms-inside-sphere.at (modified)
	* tests/regression/Selection/Atoms/ClearAtoms/testsuite-selection-clear-atoms.at (modified)

	Splitted off Undo and Redo parts into own tests (3-step rule).

	- ...


Wed, 27 Apr 2011 09:16:03 GMT Frederik Heber <heber@…> [caeeb8]
	* tests/regression/Analysis/AngularDipoleCorrelation-DiscreteAngles/testsuite-analysis-angular-dipole-correlation-discrete-angles.at (modified)
	* tests/regression/Analysis/AngularDipoleCorrelation-Empty/testsuite-analysis-angular-dipole-correlation-empty.at (modified)
	* tests/regression/Analysis/PairCorrelation-RangeTest/testsuite-analysis-pair-correlation-range-test.at (modified)
	* tests/regression/Analysis/PairCorrelation/testsuite-analysis-pair-correlation.at (modified)
	* tests/regression/Analysis/PointCorrelation/testsuite-analysis-point-correlation.at (modified)
	* tests/regression/Analysis/SurfaceCorrelation/testsuite-analysis-surface-correlation.at (modified)
	* tests/regression/Atoms/Add/testsuite-atoms-add.at (modified)
	* tests/regression/Atoms/ChangeElement/post/test-undo.xyz (added)
	* tests/regression/Atoms/ChangeElement/testsuite-atoms-change-element.at (modified)
	* tests/regression/Atoms/Remove/testsuite-atoms-remove.at (modified)
	* tests/regression/Atoms/RemoveInsideCuboid/testsuite-atoms-remove-inside-cuboid.at (modified)
	* tests/regression/Atoms/RemoveInsideSphere/testsuite-atoms-remove-inside-sphere.at (modified)
	* tests/regression/Atoms/SaveSelectedAtoms/testsuite-atoms-save-selected-atoms.at (modified)
	* tests/regression/Domain/RepeatBox/testsuite-domain-repeat-box.at (modified)
	* tests/regression/Filling/SuspendInWater/testsuite-suspend-in-water.at (modified)
	* tests/regression/Molecules/BondFile/testsuite-molecules-bond-file.at (modified)
	* tests/regression/Molecules/SaveAdjacency/testsuite-molecules-save-adjacency.at (modified)
	* tests/regression/Molecules/SaveBonds/testsuite-molecules-save-bonds.at (modified)
	* tests/regression/Molecules/SaveSelectedMolecules/testsuite-molecules-save-selected-molecules.at (modified)
	* tests/regression/Molecules/SaveTemperature/testsuite-molecules-save-temperature.at (modified)
	* tests/regression/Parser/Mpqc-SetParameters/testsuite-parser-mpqc-set-parameters.at (modified)
	* tests/regression/Parser/Pcp/testsuite-parser-pcp.at (modified)
	* tests/regression/Parser/Pdb/testsuite-parser-pdb.at (modified)
	* tests/regression/Parser/Tremolo-Potentials/testsuite-parser-tremolo-potentials.at (modified)
	* tests/regression/Parser/Tremolo/testsuite-parser-tremolo.at (modified)
	* tests/regression/Selection/Atoms/AtomById/post/test-undo.xyz (added)
	* tests/regression/Selection/Atoms/AtomById/testsuite-selection-atom-by-id.at (modified)

	Changes to regression tests: replaced all $file in ".../post/$file" ...


Wed, 27 Apr 2011 08:59:00 GMT Frederik Heber <heber@…> [23b0c2]
	* tests/regression/Analysis/AngularDipoleCorrelation-DiscreteAngles/testsuite-analysis-angular-dipole-correlation-discrete-angles.at (modified)
	* tests/regression/Analysis/PairCorrelation-RangeTest/testsuite-analysis-pair-correlation-range-test.at (modified)
	* tests/regression/Analysis/PairCorrelation/testsuite-analysis-pair-correlation.at (modified)
	* tests/regression/Analysis/PointCorrelation/testsuite-analysis-point-correlation.at (modified)
	* tests/regression/Analysis/PrincipalAxisSystem/testsuite-analysis-principal-axis-system.at (modified)
	* tests/regression/Analysis/SurfaceCorrelation/testsuite-analysis-surface-correlation.at (modified)
	* tests/regression/Atoms/ChangeElement/testsuite-atoms-change-element.at (modified)
	* tests/regression/Atoms/Remove/testsuite-atoms-remove.at (modified)
	* tests/regression/Atoms/RemoveInsideCuboid/testsuite-atoms-remove-inside-cuboid.at (modified)
	* tests/regression/Atoms/RemoveInsideSphere/testsuite-atoms-remove-inside-sphere.at (modified)
	* tests/regression/Atoms/SaveSelectedAtoms/testsuite-atoms-save-selected-atoms.at (modified)
	* tests/regression/Atoms/Translation/testsuite-atoms-translation.at (modified)
	* tests/regression/Domain/AddEmptyBoundary/testsuite-domain-add-empty-boundary.at (modified)
	* tests/regression/Domain/CenterInBox/testsuite-domain-center-in-box.at (modified)
	* tests/regression/Domain/CenterOnEdge/testsuite-domain-center-on-edge.at (modified)
	* tests/regression/Domain/RepeatBox/testsuite-domain-repeat-box.at (modified)
	* tests/regression/Domain/ScaleBox/testsuite-domain-scale-box.at (modified)
	* tests/regression/Filling/FillVoidWithMolecule/post/empty.xyz (deleted)
	* tests/regression/Filling/FillVoidWithMolecule/post/propane.xyz (added)
	* tests/regression/Filling/FillVoidWithMolecule/testsuite-fill-void-with-molecule.at (modified)
	* tests/regression/Filling/FillWithMolecule/post/empty.xyz (deleted)
	* tests/regression/Filling/FillWithMolecule/post/propane.xyz (added)
	* tests/regression/Filling/FillWithMolecule/testsuite-fill-with-molecule.at (modified)
	* tests/regression/Filling/SuspendInWater/testsuite-suspend-in-water.at (modified)
	* tests/regression/Fragmentation/FragmentMolecule-MaxOrder/testsuite-fragmentation-fragment-molecule-maxorder.at (modified)
	* tests/regression/Fragmentation/FragmentMolecule/testsuite-fragmentation-fragment-molecule.at (modified)
	* tests/regression/Fragmentation/testsuite-fragmentation-2nd-order.at (deleted)
	* tests/regression/Fragmentation/testsuite-fragmentation-config-check.at (deleted)
	* tests/regression/Fragmentation/testsuite-fragmentation-maxorder.at (deleted)
	* tests/regression/Graph/DepthFirstSearch/testsuite-graph-depth-first-search.at (modified)
	* tests/regression/Graph/SubgraphDissection/testsuite-graph-subgraph-dissection.at (modified)
	* tests/regression/Molecules/BondFile/testsuite-molecules-bond-file.at (modified)
	* tests/regression/Molecules/Copy/testsuite-molecules-copy-molecule.at (modified)
	* tests/regression/Molecules/LinearInterpolationofTrajectories/testsuite-molecules-linear-interpolation-of-trajectories.at (modified)
	* tests/regression/Molecules/RotateAroundOrigin/testsuite-molecules-rotate-around-origin.at (modified)
	* tests/regression/Molecules/RotateAroundSelf/testsuite-molecules-rotate-around-self.at (modified)
	* tests/regression/Molecules/RotateToPrincipalAxisSystem/testsuite-molecules-rotate-to-principal-axis-system.at (modified)
	* tests/regression/Molecules/SaveAdjacency/testsuite-molecules-save-adjacency.at (modified)
	* tests/regression/Molecules/SaveBonds/testsuite-molecules-save-bonds.at (modified)
	* tests/regression/Molecules/SaveSelectedMolecules/testsuite-molecules-save-selected-molecules.at (modified)
	* tests/regression/Molecules/SaveTemperature/testsuite-molecules-save-temperature.at (modified)
	* tests/regression/Molecules/Translation-Periodic/testsuite-molecules-translation-periodic.at (modified)
	* tests/regression/Molecules/Translation/testsuite-molecules-translation.at (modified)
	* tests/regression/Molecules/VerletIntegration/testsuite-molecules-verlet-integration.at (modified)
	* tests/regression/Options/InvalidCommands/testsuite-options-invalid-commands.at (modified)
	* tests/regression/Parser/Mpqc/testsuite-parser-mpqc.at (modified)
	* tests/regression/Parser/Pcp/testsuite-parser-pcp.at (modified)
	* tests/regression/Parser/Tremolo-Potentials/testsuite-parser-tremolo-potentials.at (modified)
	* tests/regression/Parser/Tremolo/testsuite-parser-tremolo.at (modified)
	* tests/regression/Parser/Xyz/testsuite-parser-xyz.at (modified)
	* tests/regression/Selection/Atoms/AllAtoms/post/box.xyz (added)
	* tests/regression/Selection/Atoms/AllAtoms/testsuite-selection-all-atoms.at (modified)
	* tests/regression/Selection/Atoms/AllAtomsOfMolecule/post/test.xyz (added)
	* tests/regression/Selection/Atoms/AllAtomsOfMolecule/testsuite-selection-all-atoms-of-molecule.at (modified)
	* tests/regression/Selection/Atoms/AtomByElement/testsuite-selection-atoms-by-element.at (modified)
	* tests/regression/Selection/Atoms/AtomById/testsuite-selection-atom-by-id.at (modified)
	* tests/regression/Selection/Atoms/AtomsInsideCuboid/testsuite-selection-atoms-inside-cuboid.at (modified)
	* tests/regression/Selection/Atoms/AtomsInsideSphere/testsuite-selection-atoms-inside-sphere.at (modified)
	* tests/regression/Selection/Atoms/ClearAtoms/testsuite-selection-clear-atoms.at (modified)
	* tests/regression/Tesselation/BigConvex/testsuite-tesselation-big-convex-envelope.at (modified)
	* tests/regression/Tesselation/BigNonConvex/testsuite-tesselation-big-non-convex-envelope.at (modified)
	* tests/regression/Tesselation/Convex/testsuite-tesselation-convex-envelope.at (modified)
	* tests/regression/Tesselation/NonConvex/testsuite-tesselation-non-convex-envelope.at (modified)

	Restructured test*.at files: 3-step-rule.

	- three-step rule: setup, ...


Mon, 18 Apr 2011 15:00:06 GMT Frederik Heber <heber@…> [7a1dd0]
	* src/Parser/PcpParser.cpp (modified)
	* src/config.cpp (modified)
	* tests/regression/Parser/Mpqc/pre/empty.in (added)
	* tests/regression/Parser/Mpqc/testsuite-parser-mpqc.at (modified)
	* tests/regression/Parser/Pcp/pre/empty.conf (added)
	* tests/regression/Parser/Pcp/testsuite-parser-pcp.at (modified)
	* tests/regression/Parser/Pdb/pre/empty.pdb (added)
	* tests/regression/Parser/Pdb/testsuite-parser-pdb.at (modified)
	* tests/regression/Parser/Tremolo/pre/empty.data (added)
	* tests/regression/Parser/Tremolo/testsuite-parser-tremolo.at (modified)
	* tests/regression/Parser/Xyz/pre/empty.xyz (added)
	* tests/regression/Parser/Xyz/testsuite-parser-xyz.at (modified)

	Added regression tests on parsing present but empty files.

	- every ...


Mon, 18 Apr 2011 12:45:06 GMT Frederik Heber <heber@…> [305e7e]
	* src/Parser/TremoloAtomInfoContainer.cpp (modified)
	* src/Parser/TremoloAtomInfoContainer.hpp (modified)
	* src/Parser/TremoloKey.hpp (modified)
	* src/Parser/TremoloParser.cpp (modified)
	* src/Parser/TremoloParser.hpp (modified)
	* src/Parser/unittests/ParserTremoloUnitTest.cpp (modified)
	* tests/regression/Atoms/Add/post/test.data (modified)
	* tests/regression/Filling/FillVoidWithMolecule/post/tensid.data (modified)
	* tests/regression/Filling/FillVoidWithMolecule/pre/tensid.data (modified)
	* tests/regression/Filling/FillVoidWithMolecule/pre/water.data (modified)
	* tests/regression/Molecules/Copy/post/tensid.data (modified)
	* tests/regression/Molecules/Copy/pre/tensid.data (modified)
	* tests/regression/Parser/Tremolo-Potentials/post/argon.data (modified)
	* tests/regression/Parser/Tremolo-Potentials/post/test.data (modified)
	* tests/regression/Parser/Tremolo-Potentials/pre/argon.data (modified)
	* tests/regression/Parser/Tremolo/post/argon.data (modified)
	* tests/regression/Parser/Tremolo/post/test.data (modified)
	* tests/regression/Parser/Tremolo/pre/argon.data (modified)
	* tests/regression/Parser/Tremolo/pre/test.data (modified)

	FIX: Type is actually spelled type with TREMOLO.

	- corrected in ...


Mon, 18 Apr 2011 12:45:06 GMT Frederik Heber <heber@…> [4217e7]
	* tests/regression/Makefile.am (modified)
	* tests/regression/Parser/Tremolo-Potentials/post/argon.data (added)
	* tests/regression/Parser/Tremolo-Potentials/post/test.data (added)
	* tests/regression/Parser/Tremolo-Potentials/pre/argon.data (added)
	* tests/regression/Parser/Tremolo-Potentials/pre/argon.potentials (added)
	* tests/regression/Parser/Tremolo-Potentials/pre/test.xyz (added)
	* tests/regression/Parser/Tremolo-Potentials/testsuite-parser-tremolo-potentials.at (added)
	* tests/regression/Parser/testsuite-parser.at (modified)

	Added regression test on --parse-tremolo-potentials.


Tue, 01 Mar 2011 10:16:37 GMT Frederik Heber <heber@…> [0180d6]
	* src/Parser/XyzParser.cpp (modified)
	* src/Parser/unittests/ParserXyzUnitTest.cpp (modified)
	* src/Parser/unittests/ParserXyzUnitTest.hpp (modified)
	* tests/regression/Parser/Xyz/post/testmulti.xyz (added)
	* tests/regression/Parser/Xyz/pre/testmulti.xyz (added)
	* tests/regression/Parser/Xyz/testsuite-parser-xyz.at (modified)

	Enhanced XyzParser to load and save multiple time steps.

	- Extended ...


Thu, 24 Feb 2011 20:22:51 GMT Frederik Heber <heber@…> [c6aeb1]
	* tests/regression/Parser/Pdb/post/test_conect.pdb (added)
	* tests/regression/Parser/Pdb/pre/test_conect.pdb (added)
	* tests/regression/Parser/Pdb/testsuite-parser-pdb.at (modified)

	Added regression test for Parser/Pdb for PDB files with CONECT
	entries.


Thu, 24 Feb 2011 19:55:15 GMT Frederik Heber <heber@…> [9dba5f]
	* src/Parser/PdbAtomInfoContainer.cpp (modified)
	* src/Parser/PdbAtomInfoContainer.hpp (modified)
	* src/Parser/PdbKey.hpp (modified)
	* src/Parser/PdbParser.cpp (modified)
	* src/Parser/PdbParser.hpp (modified)
	* tests/regression/Parser/Pdb/post/testmulti.pdb (added)
	* tests/regression/Parser/Pdb/post/testmulti2.pdb (added)
	* tests/regression/Parser/Pdb/pre/testmulti.pdb (added)
	* tests/regression/Parser/Pdb/pre/testmulti2.pdb (added)
	* tests/regression/Parser/Pdb/testsuite-parser-pdb.at (modified)

	PdbParser can now load and save multiple time steps.

	- WARNING: ...


Thu, 24 Feb 2011 19:48:13 GMT Frederik Heber <heber@…> [fcac72]
	* src/Parser/PcpParser.cpp (modified)
	* src/config.cpp (modified)
	* tests/regression/Parser/Pcp/post/testmulti.conf (added)
	* tests/regression/Parser/Pcp/pre/testmulti.conf (added)
	* tests/regression/Parser/Pcp/testsuite-parser-pcp.at (modified)

	Added multiple time steps to PcpParser::OutputAtoms().

	- removed ...


Mon, 07 Feb 2011 10:45:43 GMT Frederik Heber <heber@…> [4cbca0]
	* src/Parser/MpqcParser.cpp (modified)
	* tests/regression/Parser/Mpqc-SetParameters/post/testCLHF.in (added)
	* tests/regression/Parser/Mpqc-SetParameters/pre/testCLHF.in (added)
	* tests/regression/Parser/Mpqc-SetParameters/testsuite-parser-mpqc-set-parameters.at (modified)
	* tests/regression/Parser/Mpqc/post/testCLHF.in (added)
	* tests/regression/Parser/Mpqc/post/testCLKS.in (added)
	* tests/regression/Parser/Mpqc/post/testMBPT2.in (moved)
	* tests/regression/Parser/Mpqc/post/testMBPT2_R12.in (added)
	* tests/regression/Parser/Mpqc/pre/testCLHF.in (added)
	* tests/regression/Parser/Mpqc/pre/testCLKS.in (added)
	* tests/regression/Parser/Mpqc/pre/testMBPT2.in (added)
	* tests/regression/Parser/Mpqc/pre/testMBPT2_R12.in (added)
	* tests/regression/Parser/Mpqc/testsuite-parser-mpqc.at (modified)

	Implemented full MpqcParser::load().

	- regression tests for four ...


Mon, 07 Feb 2011 10:43:50 GMT Frederik Heber <heber@…> [963321a]
	* src/Actions/Makefile.am (modified)
	* src/Actions/ParserAction/SetGaussianBasisAction.cpp (deleted)
	* src/Actions/ParserAction/SetMpqcParametersAction.cpp (added)
	* src/Actions/ParserAction/SetMpqcParametersAction.def (moved)
	* src/Actions/ParserAction/SetMpqcParametersAction.hpp (moved)
	* src/Parser/MpqcParser.cpp (modified)
	* src/Parser/MpqcParser.hpp (modified)
	* src/Parser/MpqcParser_Parameters.cpp (modified)
	* tests/regression/Makefile.am (modified)
	* tests/regression/Parser/Mpqc-SetBasis/testsuite-parser-mpqc-set-basis.at (deleted)
	* tests/regression/Parser/Mpqc-SetParameters/pre/test.xyz (added)
	* tests/regression/Parser/Mpqc-SetParameters/testsuite-parser-mpqc-set-parameters.at (added)
	* tests/regression/Parser/testsuite-parser.at (modified)

	Converted SetGaussianBasisAction into SetMpqcParametersAction.

	- ...


Mon, 07 Feb 2011 10:43:35 GMT Frederik Heber <heber@…> [61d69a4]
	* src/Parser/Makefile.am (modified)
	* src/Parser/MpqcParser.cpp (modified)
	* src/Parser/MpqcParser.hpp (modified)
	* src/Parser/MpqcParser_Parameters.cpp (added)
	* src/Parser/MpqcParser_Parameters.hpp (added)
	* src/Parser/unittests/ParserMpqcUnitTest.cpp (modified)
	* src/Parser/unittests/ParserMpqcUnitTest.hpp (modified)
	* tests/regression/Atoms/Add/post/test.in (modified)
	* tests/regression/Atoms/Remove/post/test.in (modified)
	* tests/regression/Parser/Mpqc/post/test.in (modified)

	Added MpqcParser_Parameter class to MpqcParser.

	- contains all ...


Mon, 07 Feb 2011 10:27:18 GMT Frederik Heber <heber@…> [bb74ba]
	* src/Parser/MpqcParser.cpp (modified)
	* src/Parser/unittests/ParserMpqcUnitTest.cpp (modified)
	* tests/regression/Atoms/Add/post/test.in (modified)
	* tests/regression/Atoms/Remove/post/test.in (modified)
	* tests/regression/Parser/Mpqc/post/test.in (modified)
	* tests/regression/Parser/Mpqc/pre/test.in (modified)

	MpqcParser now writes correct MP2 configuration.

	- while the ...


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 ...