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test-rotated-z360.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: 340 bytes

Rev	Line
[327364]	1	11
	2	Created by molecuilder on Fri Aug 6 15:40:35 2010
	3	H 9.42281 2.64589 4.78517
	4	H 7.64281 2.64592 4.78517
	5	H 8.53283 3.90457 5.67506
	6	H 9.42284 4.78788 3.53584
	7	H 7.64284 4.7879 3.53584
	8	H 8.53283 3.90451 1.39669
	9	H 9.42281 2.64586 2.28667
	10	H 7.64281 2.64589 2.28667
	11	C 8.53282 3.27521 4.78516
	12	C 8.53283 4.15859 3.53585
	13	C 8.53282 3.27517 2.28666

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