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Candidate_v1.6.1

Last change on this file since a844d8 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.

File size: 351 bytes

Line
1	11
2	Created by molecuilder on Fri Aug 6 15:40:35 2010
3	H 2.64589 -9.42281 4.78517
4	H 2.64592 -7.64281 4.78517
5	H 3.90457 -8.53283 5.67506
6	H 4.78788 -9.42284 3.53584
7	H 4.7879 -7.64284 3.53584
8	H 3.90451 -8.53283 1.39669
9	H 2.64586 -9.42281 2.28667
10	H 2.64589 -7.64281 2.28667
11	C 3.27521 -8.53282 4.78516
12	C 4.15859 -8.53283 3.53585
13	C 3.27517 -8.53282 2.28666

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