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test-rotated-xYz20.xyz@ 038ccd

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Last change on this file since 038ccd 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: 335 bytes

Line
1	11
2	Created by molecuilder on Fri Aug 6 15:40:35 2010
3	H 9.00082 1.84611 5.02671
4	H 8.52163 2.13043 6.71726
5	H 9.80746 3.11525 5.979
6	H 8.15645 4.09438 4.40925
7	H 7.67726 4.3787 6.0998
8	H 5.7441 3.62663 4.74123
9	H 6.62788 2.14475 4.30388
10	H 6.1487 2.42907 5.99442
11	C 8.86174 2.60492 5.79677
12	C 7.81634 3.61989 5.32974
13	C 6.48881 2.90356 5.07393

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source: tests/regression/Molecules/RotateToPrincipalAxisSystem/pre/test-rotated-xYz20.xyz@ 038ccd

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