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test-rotated-z90.xyz@ 1ca493a

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Candidate_v1.7.0 stable

Last change on this file since 1ca493a was 967b3c, checked in by Frederik Heber <heber@…>, 15 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.

File size: 351 bytes

Line
1	11
2	Created by molecuilder on Fri Aug 6 15:40:35 2010
3	H 2.64589 -9.78209 2.64589
4	H 2.64589 -9.78209 4.42589
5	H 3.90454 -10.672 3.53589
6	H 4.78789 -8.53279 2.64589
7	H 4.78789 -8.53279 4.42589
8	H 3.90454 -6.39363 3.53589
9	H 2.64589 -7.28359 2.64589
10	H 2.64589 -7.28359 4.42589
11	C 3.27519 -9.78209 3.53589
12	C 4.15859 -8.53279 3.53589
13	C 3.27519 -7.28359 3.53589

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