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water.xyz@ e9f307

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Candidate_v1.7.0 stable

Last change on this file since e9f307 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: 111 bytes

Line
1	3
2	Created by molecuilder for select-molecule-by-formula test
3	O 5 0 1.9329
4	H 5.7586 0 2.4371
5	H 5.7586 0 1.4286

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