Candidate_v1.6.1
Candidate_v1.7.0
ChemicalSpaceEvaluator
stable
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Last change
on this file since c52abd was 8a957e, checked in by Frederik Heber <heber@…>, 15 years ago |
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Changed regression testsuite structure of Domain.
- all numbered test cases now have meaningful names.
- renamed TOKEN of AddEmptyBoundaryAction: boundary -> add-empty-boundary.
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-
Property mode
set to
100644
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File size:
625 bytes
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| 2 | Created by molecuilder on Mon May 31 19:07:16 2010
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| 3 | H 9.78209 2.64589 2.64589
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| 4 | C 27.2836 3.27519 3.53589
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| 5 | C 28.5328 4.15859 3.53589
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| 6 | C 29.7821 3.27519 3.53589
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| 7 | H 27.2836 2.64589 4.42589
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| 8 | H 9.78209 2.64589 4.42589
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| 9 | H 10.672 3.90454 3.53589
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| 10 | H 8.53279 4.78789 2.64589
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| 11 | H 27.2836 2.64589 2.64589
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| 12 | H 26.3936 3.90454 3.53589
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| 13 | H 28.5328 4.78789 4.42589
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| 14 | H 28.5328 4.78789 2.64589
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| 15 | H 30.672 3.90454 3.53589
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| 16 | H 29.7821 2.64589 4.42589
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| 17 | H 29.7821 2.64589 2.64589
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| 18 | H 8.53279 4.78789 4.42589
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| 19 | H 6.39363 3.90454 3.53589
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| 20 | H 7.28359 2.64589 2.64589
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| 21 | H 7.28359 2.64589 4.42589
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| 22 | C 9.78209 3.27519 3.53589
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| 23 | C 8.53279 4.15859 3.53589
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| 24 | C 7.28359 3.27519 3.53589
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