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test-H_missing.xyz

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Candidate_v1.6.1

Last change on this file was b9bfa6, checked in by Frederik Heber <heber@…>, 14 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

Rev	Line
[512f85]	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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