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test-rotated-xYz20.xyz@ ecfcf6

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AutomationFragmentation_failures Candidate_v1.6.1 ChemicalSpaceEvaluator Enhanced_StructuralOptimization_continued Exclude_Hydrogens_annealWithBondGraph ForceAnnealing_with_BondGraph ForceAnnealing_with_BondGraph_contraction-expansion Gui_displays_atomic_force_velocity PythonUI_with_named_parameters StoppableMakroAction TremoloParser_IncreasedPrecision

Last change on this file since ecfcf6 was 967b3c, checked in by Frederik Heber <heber@…>, 14 years ago

Changed regression testsuite structure of Molecules.

all numbered test cases now have meaningful names.
renamed token of AtomAction/RotateAroundOriginByAngleAction: rotate-origin -> rotate-around-origin.
renamed token of LinearInterpolationofTrajectoriesAction: linear-interpolate -> linear-interpolation-of-trajectories.
renamed token of RotateAroundSelfByAngleAction: rotate-self -> rotate-around-self.
renamed token of RotateToPrincipalAxisSystemAction: rotate-to-pas -> rotate-to-principal-axis-system.
renamed token of VerletIntegrationAction: verlet-integrate -> verlet-integration.
re-added test for periodic translation (was Molecules/7 but unused).
TESTFIX: Analysis/AngularDipoleCorrelation-DiscreteAngles due to renaming of rotate-around-self.

Property mode set to 100644

File size: 338 bytes

Line
1	11
2	Created by molecuilder on Fri Aug 6 15:40:35 2010
3	H 8.35684 1.92717 6.65103
4	H 6.63234 2.36823 6.65103
5	H 7.80647 3.36711 7.54093
6	H 8.88759 4.00235 5.4017
7	H 7.1631 4.44342 5.40171
8	H 7.80645 3.36705 3.26256
9	H 8.35682 1.92714 4.15253
10	H 6.63233 2.3682 4.15254
11	C 7.65052 2.75737 6.65102
12	C 7.86942 3.61321 5.40172
13	C 7.65051 2.75734 4.15253

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source: tests/regression/Molecules/RotateToPrincipalAxisSystem/post/test-rotated-xYz20.xyz@ ecfcf6

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