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test-rotated-z180.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: 362 bytes

Rev	Line
[327364]	1	11
	2	Created by molecuilder on Fri Aug 6 15:40:35 2010
	3	H -7.64281 -2.64592 2.28661
	4	H -9.42281 -2.64589 2.28661
	5	H -8.53283 -3.90457 1.39672
	6	H -7.64284 -4.7879 3.53594
	7	H -9.42284 -4.78788 3.53594
	8	H -8.53283 -3.90451 5.67509
	9	H -7.64281 -2.64589 4.78511
	10	H -9.42281 -2.64586 4.78511
	11	C -8.53282 -3.27521 2.28662
	12	C -8.53283 -4.15859 3.53593
	13	C -8.53282 -3.27517 4.78512

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