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# ChangeLog for tests/regression/Molecules/BondFile/pre
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# Generated by Trac 1.4.4
# Jan 14, 2025, 10:27:54 PM

Fri, 17 Feb 2012 15:24:19 GMT Frederik Heber <heber@…> [cdaae6]
	* src/Atom/atom_bondedparticle.cpp (modified)
	* tests/regression/Molecules/BondFile/pre/test.dbond (modified)
	* tests/regression/Molecules/BondFile/testsuite-molecules-fragmentation-bond-file.at (modified)
	* tests/regression/Molecules/SaveAdjacency/post/test.adj (modified)
	* tests/regression/Molecules/SaveBonds/post/test.dbond (modified)

	FIX: BondedParticle::OutputAdjacency() and ::OutputBonds() give ...


Tue, 01 Mar 2011 13:17:07 GMT Frederik Heber <heber@…> [0cbad2]
	* src/Actions/MoleculeAction/BondFileAction.cpp (modified)
	* src/Actions/MoleculeAction/BondFileAction.def (modified)
	* src/bondgraph.cpp (modified)
	* src/bondgraph.hpp (modified)
	* src/molecule.hpp (modified)
	* src/molecule_graph.cpp (modified)
	* tests/regression/Molecules/BondFile/post/test.pdb (added)
	* tests/regression/Molecules/BondFile/pre/silica.dbond.0000 (added)
	* tests/regression/Molecules/BondFile/pre/silica.pov1.0000.pdb (added)
	* tests/regression/Molecules/BondFile/pre/test.dbond (modified)
	* tests/regression/Molecules/BondFile/testsuite-molecules-bond-file.at (modified)

	Moved molecule::CreateAdjacencyListFromDbondFile() over to BondGraph ...


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 ...