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test-rotated-z180.xyz

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stable v1.7.0

Last change on this file 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 -9.78209 -2.64589 2.64589
	4	H -9.78209 -2.64589 4.42589
	5	H -10.672 -3.90454 3.53589
	6	H -8.53279 -4.78789 2.64589
	7	H -8.53279 -4.78789 4.42589
	8	H -6.39363 -3.90454 3.53589
	9	H -7.28359 -2.64589 2.64589
	10	H -7.28359 -2.64589 4.42589
	11	C -9.78209 -3.27519 3.53589
	12	C -8.53279 -4.15859 3.53589
	13	C -7.28359 -3.27519 3.53589

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