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test-H_missing.xyz

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stable v1.7.0

Last change on this file 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: 129 bytes

Line
1	9
2	Created by molecuilder for select-by-element test
3	He 0 0 1
4	Li 0 1 0
5	Be 0 1 1
6	B 0 1 2
7	C 0 1 3
8	N 0 1 4
9	O 0 1 5
10	F 0 1 6
11	Ne 0 1 7

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