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water.xyz@ 1ca493a

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Candidate_v1.7.0 stable

Last change on this file since 1ca493a was b9bfa6, checked in by Frederik Heber <heber@…>, 15 years ago

Changed regression testsuite structure of Selection/Atoms and ../Molecules.

all numbered test cases now have meaningful names.
(Un)Selection/Molecule action renames: by-formula and by-name have plural molecules (they can select multiple ones), by-id is singular.
renamed token of AtomAction/RotateAroundOriginByAngleAction: rotate-origin -> rotate-around-origin.
TESTFIX: Analysis/AngularDipoleCorrelation-Empty due to renaming of molecule_s_-by-formula
TESTFIX: Analysis/SurfaceCorrelation due to renaming of molecule_s_-by_formula

File size: 109 bytes

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1	3
2	Created by molecuilder for select-atoms-molecules test
3	O 0 0 0.504284
4	H 0.758602 0 1.00857
5	H 0.758602 0 0

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