#
# ChangeLog for tests/regression/Atoms/Add
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# Generated by Trac 1.6
# Jun 1, 2025, 6:16:33 AM

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" ...


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, 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 10:25:38 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 ...