# # ChangeLog for tests/GuiChecks/Domain/CenterOnEdge # # Generated by Trac 1.4.4 # Dec 24, 2024, 2:14:19 AM Thu, 11 Jun 2015 23:21:41 GMT Frederik Heber [dd6c07] * tests/GuiChecks/Analysis/DipoleAngularCorrelation-PeriodicBoundaries/testsuite-analysis-dipole-angular-correlation-periodic-boundaries.at (added) * tests/GuiChecks/Analysis/DipoleAngularCorrelation/testsuite-analysis-dipole-angular-correlation.at (added) * tests/GuiChecks/Analysis/DipoleCorrelation-DiscreteAngles/testsuite-analysis-dipole-correlation-discrete-angles.at (added) * tests/GuiChecks/Analysis/DipoleCorrelation-Empty/testsuite-analysis-dipole-correlation-empty.at (added) * tests/GuiChecks/Analysis/PairCorrelation-RangeTest/testsuite-analysis-pair-correlation-range-test.at (added) * tests/GuiChecks/Analysis/PairCorrelation/testsuite-analysis-pair-correlation.at (added) * tests/GuiChecks/Analysis/PointCorrelation/testsuite-analysis-point-correlation.at (added) * tests/GuiChecks/Analysis/PrincipalAxisSystem/testsuite-analysis-principal-axis-system.at (added) * tests/GuiChecks/Analysis/SurfaceCorrelation/testsuite-analysis-surface-correlation.at (added) * tests/GuiChecks/Analysis/testsuite-analysis.at (added) * tests/GuiChecks/Atoms/Add/testsuite-atoms-add.at (added) * tests/GuiChecks/Atoms/ChangeElement/testsuite-atoms-change-element.at (added) * tests/GuiChecks/Atoms/Mirror/testsuite-atoms-mirror.at (added) * tests/GuiChecks/Atoms/Remove/testsuite-atoms-remove.at (added) * tests/GuiChecks/Atoms/RemoveCuboid/testsuite-atoms-remove-cuboid.at (added) * tests/GuiChecks/Atoms/RemoveSphere/testsuite-atoms-remove-sphere.at (added) * tests/GuiChecks/Atoms/Saturate/testsuite-atoms-saturate_carbon.at (added) * tests/GuiChecks/Atoms/Saturate/testsuite-atoms-saturate_nitrogen.at (added) * tests/GuiChecks/Atoms/SaveSelectedAtoms/testsuite-atoms-save-selected-atoms.at (added) * tests/GuiChecks/Atoms/Translation/testsuite-atoms-translation.at (added) * tests/GuiChecks/Atoms/TranslationToOrigin/testsuite-atoms-translation-to-origin.at (added) * tests/GuiChecks/Atoms/testsuite-atoms.at (added) * tests/GuiChecks/Bond/Add/testsuite-bond-add.at (added) * tests/GuiChecks/Bond/Add/testsuite-bond-add_multiple.at (added) * tests/GuiChecks/Bond/Remove/testsuite-bond-remove.at (added) * tests/GuiChecks/Bond/Remove/testsuite-bond-remove_multiple.at (added) * tests/GuiChecks/Bond/testsuite-bond.at (added) * tests/GuiChecks/Domain/AddEmptyBoundary/testsuite-domain-add-empty-boundary.at (added) * tests/GuiChecks/Domain/BoundInBox/testsuite-domain-bound-in-box.at (added) * tests/GuiChecks/Domain/CenterInBox/testsuite-domain-center-in-box.at (added) * tests/GuiChecks/Domain/CenterOnEdge/testsuite-domain-center-on-edge.at (added) * tests/GuiChecks/Domain/ChangeBox/testsuite-domain-change-box.at (added) * tests/GuiChecks/Domain/RepeatBox/testsuite-domain-repeat-box.at (added) * tests/GuiChecks/Domain/ScaleBox/testsuite-domain-scale-box.at (added) * tests/GuiChecks/Domain/SetBoundaryConditions/testsuite-domain-set-boundary-conditions.at (added) * tests/GuiChecks/Domain/testsuite-domain.at (added) * tests/GuiChecks/Filling/FillSurface/testsuite-fill-surface-cube.at (added) * tests/GuiChecks/Filling/FillSurface/testsuite-fill-surface-cylinder.at (added) * tests/GuiChecks/Filling/FillSurface/testsuite-fill-surface-everywhere.at (added) * tests/GuiChecks/Filling/FillSurface/testsuite-fill-surface-micelle.at (added) * tests/GuiChecks/Filling/FillSurface/testsuite-fill-surface-nowhere.at (added) * tests/GuiChecks/Filling/FillSurface/testsuite-fill-surface-sphere.at (added) * tests/GuiChecks/Filling/FillVolume/testsuite-fill-volume-cube.at (added) * tests/GuiChecks/Filling/FillVolume/testsuite-fill-volume-cylinder.at (added) * tests/GuiChecks/Filling/FillVolume/testsuite-fill-volume-everywhere.at (added) * tests/GuiChecks/Filling/FillVolume/testsuite-fill-volume-nowhere.at (added) * tests/GuiChecks/Filling/FillVolume/testsuite-fill-volume-sphere.at (added) * tests/GuiChecks/Filling/RegularGrid/testsuite-fill-regular-grid-with-surface.at (added) * tests/GuiChecks/Filling/RegularGrid/testsuite-fill-regular-grid.at (added) * tests/GuiChecks/Filling/SuspendInWater/testsuite-suspend-in-water.at (added) * tests/GuiChecks/Filling/testsuite-filling.at (added) * tests/GuiChecks/Fragmentation/AnalyseFragmentationResults/testsuite-fragmentation-analyse-fragment-results.at (added) * tests/GuiChecks/Fragmentation/FragmentMolecule-MaxOrder/testsuite-fragmentation-fragment-molecule-maxorder.at (added) * tests/GuiChecks/Fragmentation/FragmentMolecule/testsuite-fragmentation-fragment-molecule.at (added) * tests/GuiChecks/Fragmentation/FragmentationAutomation/testsuite-fragmentation-fragmentation-automation.at (added) * tests/GuiChecks/Fragmentation/StoreSaturatedFragment/testsuite-fragmentation-store-saturated-fragment.at (added) * tests/GuiChecks/Fragmentation/testsuite-fragmentation.at (added) * tests/GuiChecks/Graph/CreateAdjacency/testsuite-graph-create-adjacency.at (added) * tests/GuiChecks/Graph/DepthFirstSearch/testsuite-graph-depth-first-search.at (added) * tests/GuiChecks/Graph/DestroyAdjacency/testsuite-graph-destroy-adjacency.at (added) * tests/GuiChecks/Graph/SubgraphDissection-BoundaryConditions/testsuite-graph-subgraph-dissection_boundary-conditions.at (added) * tests/GuiChecks/Graph/SubgraphDissection/testsuite-graph-subgraph-dissection.at (added) * tests/GuiChecks/Graph/testsuite-graph.at (added) * tests/GuiChecks/Makefile.am (modified) * tests/GuiChecks/Molecules/BondFile/testsuite-molecules-fragmentation-bond-file.at (added) * tests/GuiChecks/Molecules/BondFile/testsuite-molecules-tremolo-dbond-file.at (added) * tests/GuiChecks/Molecules/ChangeBondAngle/testsuite-molecules-change-bond-angle.at (added) * tests/GuiChecks/Molecules/Copy/testsuite-molecules-copy-molecule.at (added) * tests/GuiChecks/Molecules/ForceAnnealing/testsuite-molecules-force-annealing.at (added) * tests/GuiChecks/Molecules/LinearInterpolationofTrajectories/testsuite-molecules-linear-interpolation-of-trajectories.at (added) * tests/GuiChecks/Molecules/Remove/testsuite-molecules-remove.at (added) * tests/GuiChecks/Molecules/RotateAroundOrigin/testsuite-molecules-rotate-around-origin.at (added) * tests/GuiChecks/Molecules/RotateAroundSelf/testsuite-molecules-rotate-around-self.at (added) * tests/GuiChecks/Molecules/RotateToPrincipalAxisSystem/testsuite-molecules-rotate-to-principal-axis-system.at (added) * tests/GuiChecks/Molecules/SaveAdjacency/testsuite-molecules-save-adjacency.at (added) * tests/GuiChecks/Molecules/SaveBonds/testsuite-molecules-save-bonds.at (added) * tests/GuiChecks/Molecules/SaveSelectedMolecules/testsuite-molecules-save-selected-molecules.at (added) * tests/GuiChecks/Molecules/SaveTemperature/testsuite-molecules-save-temperature.at (added) * tests/GuiChecks/Molecules/StretchBond/testsuite-molecules-stretch-bond.at (added) * tests/GuiChecks/Molecules/Translation-Periodic/testsuite-molecules-translation-periodic.at (added) * tests/GuiChecks/Molecules/Translation/testsuite-molecules-translation.at (added) * tests/GuiChecks/Molecules/VerletIntegration/testsuite-molecules-verlet-integration.at (added) * tests/GuiChecks/Molecules/testsuite-molecules.at (added) * tests/GuiChecks/Options/BondLengthTable/testsuite-options-bond-length-table.at (added) * tests/GuiChecks/Options/ElementsDb/testsuite-options-elements-db.at (added) * tests/GuiChecks/Options/FastParsing/testsuite-options-fast-parsing.at (added) * tests/GuiChecks/Options/Help/testsuite-options-help.at (added) * tests/GuiChecks/Options/SetDefaultName/testsuite-options-set-default-name.at (added) * tests/GuiChecks/Options/SetWorldTime/testsuite-options-set-world-time.at (added) * tests/GuiChecks/Options/Verbosity/testsuite-options-verbosity.at (added) * tests/GuiChecks/Options/Warranty/testsuite-options-warranty.at (added) * tests/GuiChecks/Options/testsuite-options.at (added) * tests/GuiChecks/Parser/Mpqc/testsuite-parser-mpqc-empty.at (added) * tests/GuiChecks/Parser/Mpqc/testsuite-parser-mpqc-load-multiply.at (added) * tests/GuiChecks/Parser/Mpqc/testsuite-parser-mpqc-load.at (added) * tests/GuiChecks/Parser/Mpqc/testsuite-parser-mpqc-save.at (added) * tests/GuiChecks/Parser/Pcp/testsuite-parser-pcp-empty.at (added) * tests/GuiChecks/Parser/Pcp/testsuite-parser-pcp-load-multiply.at (added) * tests/GuiChecks/Parser/Pcp/testsuite-parser-pcp-load.at (added) * tests/GuiChecks/Parser/Pcp/testsuite-parser-pcp-multiple-timesteps.at (added) * tests/GuiChecks/Parser/Pcp/testsuite-parser-pcp-save.at (added) * tests/GuiChecks/Parser/Pdb/testsuite-parser-pdb-CONECTs_empty_space.at (added) * tests/GuiChecks/Parser/Pdb/testsuite-parser-pdb-capital_letters_element.at (added) * tests/GuiChecks/Parser/Pdb/testsuite-parser-pdb-empty.at (added) * tests/GuiChecks/Parser/Pdb/testsuite-parser-pdb-load-multiply.at (added) * tests/GuiChecks/Parser/Pdb/testsuite-parser-pdb-load-various.at (added) * tests/GuiChecks/Parser/Pdb/testsuite-parser-pdb-load.at (added) * tests/GuiChecks/Parser/Pdb/testsuite-parser-pdb-multiple-timesteps.at (added) * tests/GuiChecks/Parser/Pdb/testsuite-parser-pdb-save.at (added) * tests/GuiChecks/Parser/Pdb/testsuite-parser-pdb-with-conects.at (added) * tests/GuiChecks/Parser/Psi3/testsuite-parser-psi3-empty.at (added) * tests/GuiChecks/Parser/Psi3/testsuite-parser-psi3-load-multiply.at (added) * tests/GuiChecks/Parser/Psi3/testsuite-parser-psi3-load.at (added) * tests/GuiChecks/Parser/Psi3/testsuite-parser-psi3-save.at (added) * tests/GuiChecks/Parser/SetParameters/Mpqc/testsuite-parser-set-parameters-mpqc-basis.at (added) * tests/GuiChecks/Parser/SetParameters/Mpqc/testsuite-parser-set-parameters-mpqc-maxiterations.at (added) * tests/GuiChecks/Parser/SetParameters/Mpqc/testsuite-parser-set-parameters-mpqc-none.at (added) * tests/GuiChecks/Parser/SetParameters/Mpqc/testsuite-parser-set-parameters-mpqc-theory.at (added) * tests/GuiChecks/Parser/SetParameters/Mpqc/testsuite-parser-set-parameters-mpqc.at (added) * tests/GuiChecks/Parser/SetParameters/Psi3/testsuite-parser-set-parameters-psi3-reference.at (added) * tests/GuiChecks/Parser/SetParameters/Psi3/testsuite-parser-set-parameters-psi3-wavefunction.at (added) * tests/GuiChecks/Parser/Tremolo-Exttypes/testsuite-parser-tremolo-save-selected-atoms-as-exttypes.at (added) * tests/GuiChecks/Parser/Tremolo-Potentials/testsuite-parser-tremolo-potentials-load.at (added) * tests/GuiChecks/Parser/Tremolo-Potentials/testsuite-parser-tremolo-potentials-save.at (added) * tests/GuiChecks/Parser/Tremolo-Potentials/testsuite-parser-tremolo-potentials.at (added) * tests/GuiChecks/Parser/Tremolo-SetAtomdata/testsuite-parser-tremolo-resetatomdata.at (added) * tests/GuiChecks/Parser/Tremolo-SetAtomdata/testsuite-parser-tremolo-setatomdata.at (added) * tests/GuiChecks/Parser/Tremolo/testsuite-parser-tremolo-empty.at (added) * tests/GuiChecks/Parser/Tremolo/testsuite-parser-tremolo-improper.at (added) * tests/GuiChecks/Parser/Tremolo/testsuite-parser-tremolo-load-multiply.at (added) * tests/GuiChecks/Parser/Tremolo/testsuite-parser-tremolo-load.at (added) * tests/GuiChecks/Parser/Tremolo/testsuite-parser-tremolo-save-unique_usedfields.at (added) * tests/GuiChecks/Parser/Tremolo/testsuite-parser-tremolo-save.at (added) * tests/GuiChecks/Parser/Xyz/testsuite-parser-xyz-empty.at (added) * tests/GuiChecks/Parser/Xyz/testsuite-parser-xyz-load-multiply.at (added) * tests/GuiChecks/Parser/Xyz/testsuite-parser-xyz-load-various.at (added) * tests/GuiChecks/Parser/Xyz/testsuite-parser-xyz-load.at (added) * tests/GuiChecks/Parser/Xyz/testsuite-parser-xyz-multiple-timesteps.at (added) * tests/GuiChecks/Parser/Xyz/testsuite-parser-xyz-save.at (added) * tests/GuiChecks/Parser/testsuite-parser.at (added) * tests/GuiChecks/Potential/FitParticleCharges/testsuite-potential-fit-particle-charges.at (added) * tests/GuiChecks/Potential/FitPotential/testsuite-potential-fit-potential.at (added) * tests/GuiChecks/Potential/testsuite-potential.at (added) * tests/GuiChecks/RandomNumbers/Distribution/testsuite-set-random-number-distribution.at (added) * tests/GuiChecks/RandomNumbers/Engine/testsuite-set-random-number-engine.at (added) * tests/GuiChecks/RandomNumbers/testsuite-randomnumbers.at (added) * tests/GuiChecks/Selection/Atoms/AllAtoms/testsuite-selection-select-all-atoms.at (added) * tests/GuiChecks/Selection/Atoms/AllAtoms/testsuite-selection-unselect-all-atoms.at (added) * tests/GuiChecks/Selection/Atoms/AllAtomsOfMolecule/testsuite-selection-select-all-atoms-of-molecule.at (added) * tests/GuiChecks/Selection/Atoms/AllAtomsOfMolecule/testsuite-selection-unselect-all-atoms-of-molecule.at (added) * tests/GuiChecks/Selection/Atoms/AtomByElement/testsuite-selection-select-atoms-by-element.at (added) * tests/GuiChecks/Selection/Atoms/AtomByElement/testsuite-selection-unselect-atoms-by-element.at (added) * tests/GuiChecks/Selection/Atoms/AtomById/testsuite-selection-select-atom-by-id-multiple.at (added) * tests/GuiChecks/Selection/Atoms/AtomById/testsuite-selection-select-atom-by-id.at (added) * tests/GuiChecks/Selection/Atoms/AtomById/testsuite-selection-unselect-atom-by-id-multiple.at (added) * tests/GuiChecks/Selection/Atoms/AtomById/testsuite-selection-unselect-atom-by-id.at (added) * tests/GuiChecks/Selection/Atoms/AtomByOrder/testsuite-selection-select-atom-by-order.at (added) * tests/GuiChecks/Selection/Atoms/AtomByOrder/testsuite-selection-unselect-atom-by-order.at (added) * tests/GuiChecks/Selection/Atoms/AtomsInsideCuboid/testsuite-selection-select-atoms-inside-cuboid-with-defaults.at (added) * tests/GuiChecks/Selection/Atoms/AtomsInsideCuboid/testsuite-selection-select-atoms-inside-cuboid.at (added) * tests/GuiChecks/Selection/Atoms/AtomsInsideCuboid/testsuite-selection-unselect-atoms-inside-cuboid.at (added) * tests/GuiChecks/Selection/Atoms/AtomsInsideSphere/testsuite-selection-select-atoms-inside-sphere.at (added) * tests/GuiChecks/Selection/Atoms/AtomsInsideSphere/testsuite-selection-select-atoms-inside-tiny-sphere.at (added) * tests/GuiChecks/Selection/Atoms/AtomsInsideSphere/testsuite-selection-unselect-atoms-inside-sphere.at (added) * tests/GuiChecks/Selection/Atoms/AtomsInsideSphere/testsuite-selection-unselect-atoms-inside-tiny-sphere.at (added) * tests/GuiChecks/Selection/Atoms/ClearAtoms/testsuite-selection-clear-atoms.at (added) * tests/GuiChecks/Selection/Atoms/InvertAtoms/testsuite-selection-invert-atoms.at (added) * tests/GuiChecks/Selection/Atoms/PopAtomSelection/testsuite-selection-pop-atom-selection.at (added) * tests/GuiChecks/Selection/Atoms/PushAtomSelection/testsuite-selection-push-atom-selection.at (added) * tests/GuiChecks/Selection/Atoms/testsuite-selection-atoms.at (added) * tests/GuiChecks/Selection/Molecules/AllMolecules/testsuite-selection-select-all-molecules.at (added) * tests/GuiChecks/Selection/Molecules/AllMolecules/testsuite-selection-unselect-all-molecules.at (added) * tests/GuiChecks/Selection/Molecules/ClearMolecules/testsuite-selection-clear-molecules.at (added) * tests/GuiChecks/Selection/Molecules/InvertMolecules/testsuite-selection-invert-molecules.at (added) * tests/GuiChecks/Selection/Molecules/MoleculeByFormula/testsuite-selection-select-molecules-by-formula.at (added) * tests/GuiChecks/Selection/Molecules/MoleculeByFormula/testsuite-selection-unselect-molecules-by-formula.at (added) * tests/GuiChecks/Selection/Molecules/MoleculeById/testsuite-selection-select-molecule-by-id.at (added) * tests/GuiChecks/Selection/Molecules/MoleculeById/testsuite-selection-unselect-molecule-by-id.at (added) * tests/GuiChecks/Selection/Molecules/MoleculeByName/testsuite-selection-select-molecules-by-name.at (added) * tests/GuiChecks/Selection/Molecules/MoleculeByName/testsuite-selection-unselect-molecules-by-name.at (added) * tests/GuiChecks/Selection/Molecules/MoleculeByOrder/testsuite-selection-select-molecule-by-order-backward.at (added) * tests/GuiChecks/Selection/Molecules/MoleculeByOrder/testsuite-selection-select-molecule-by-order-forward.at (added) * tests/GuiChecks/Selection/Molecules/MoleculeByOrder/testsuite-selection-unselect-molecule-by-order-backward.at (added) * tests/GuiChecks/Selection/Molecules/MoleculeByOrder/testsuite-selection-unselect-molecule-by-order-forward.at (added) * tests/GuiChecks/Selection/Molecules/MoleculeOfAtom/testsuite-selection-select-atoms-molecules.at (added) * tests/GuiChecks/Selection/Molecules/MoleculeOfAtom/testsuite-selection-unselect-atoms-molecules.at (added) * tests/GuiChecks/Selection/Molecules/PopMoleculeSelection/testsuite-selection-pop-molecule-selection.at (added) * tests/GuiChecks/Selection/Molecules/PushMoleculeSelection/testsuite-selection-push-molecule-selection.at (added) * tests/GuiChecks/Selection/Molecules/testsuite-selection-molecules.at (added) * tests/GuiChecks/Selection/testsuite-selection.at (added) * tests/GuiChecks/Tesselation/BigConvex/testsuite-tesselation-big-convex-envelope.at (added) * tests/GuiChecks/Tesselation/BigNonConvex/testsuite-tesselation-big-non-convex-envelope.at (added) * tests/GuiChecks/Tesselation/Convex/testsuite-tesselation-convex-envelope.at (added) * tests/GuiChecks/Tesselation/NonConvex/testsuite-tesselation-non-convex-envelope.at (added) * tests/GuiChecks/Tesselation/testsuite-tesselation.at (added) * tests/GuiChecks/testsuite.at (modified) * tests/Makefile.am (modified) Added all new guichecks regression tests generated from ...