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ForceAnnealing_with_BondGraph_continued_betteresults

Last change on this file since 982e6d 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

Line
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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