Action_Thermostats
Adding_Graph_to_ChangeBondActions
Adding_MD_integration_tests
Adding_StructOpt_integration_tests
AutomationFragmentation_failures
Candidate_v1.6.1
Candidate_v1.7.0
Candidate_v1.7.1
ChemicalSpaceEvaluator
Enhanced_StructuralOptimization
Enhanced_StructuralOptimization_continued
Example_ManyWaysToTranslateAtom
Exclude_Hydrogens_annealWithBondGraph
Fix_Verbose_Codepatterns
ForceAnnealing_with_BondGraph
ForceAnnealing_with_BondGraph_continued
ForceAnnealing_with_BondGraph_continued_betteresults
ForceAnnealing_with_BondGraph_contraction-expansion
Gui_displays_atomic_force_velocity
JobMarket_RobustOnKillsSegFaults
JobMarket_StableWorkerPool
PythonUI_with_named_parameters
Recreated_GuiChecks
StoppableMakroAction
TremoloParser_IncreasedPrecision
TremoloParser_MultipleTimesteps
stable
|
Last change
on this file since 70f2a1 was 33ee99, checked in by Frederik Heber <heber@…>, 11 years ago |
|
TESTS: Extended Tesselations tests to convex case.
- moved all present tests to NonConvex folder, added same set but including
amylose in Convex folder.
|
-
Property mode
set to
100644
|
|
File size:
750 bytes
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| Rev | Line | |
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| [bdedb1] | 1 | TITLE = "3D CONVEX SHELL"
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| 2 | VARIABLES = "X" "Y" "Z" "U"
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| 3 | ZONE T="N_N-dimethylacetamide", N=15, E=44, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
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| 4 | 0 0 0 9
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| 5 | 0.24 0.96 1.1 10
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| 6 | 0 0.58 2.38 7
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| 7 | -0.5 -0.82 2.64 9
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| 8 | 0.76 2.3 0.78 12
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| 9 | 0.16 1.34 3.3 3
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| 10 | 0.6164 -0.8635 0.1393 3
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| 11 | -1.0292 -0.2927 0.0002 3
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| 12 | 0.2393 0.4619 -0.9351 6
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| 13 | -0.6555 -0.9539 3.6902 5
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| 14 | 0.2242 -1.5274 2.2936 2
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| 15 | -1.4232 -0.9712 2.1206 2
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| 16 | 0.4218 2.999 1.5162 3
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| 17 | 0.4063 2.5988 -0.1847 4
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| 18 | 1.8297 2.2759 0.7759 4
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| 19 |
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| 20 | 5 13 15
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| 21 | 5 13 15
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| 22 | 5 14 15
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| 23 | 5 14 15
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| 24 | 5 9 14
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| 25 | 5 13 14
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| 26 | 5 13 14
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| 27 | 5 6 13
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| 28 | 2 5 6
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| 29 | 2 3 6
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| 30 | 2 5 15
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| 31 | 2 5 15
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| 32 | 2 5 9
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| 33 | 2 5 14
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| 34 | 2 5 13
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| 35 | 1 2 9
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| 36 | 1 2 9
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| 37 | 2 9 14
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| 38 | 1 7 9
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| 39 | 1 7 9
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| 40 | 1 7 8
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| 41 | 1 8 9
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| 42 | 1 8 9
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| 43 | 1 2 7
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| 44 | 1 2 8
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| 45 | 2 3 13
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| 46 | 3 6 13
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| 47 | 2 3 8
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| 48 | 3 8 12
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| 49 | 3 4 12
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| 50 | 4 10 12
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| 51 | 4 10 12
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| 52 | 4 10 11
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| 53 | 4 10 11
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| 54 | 4 11 12
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| 55 | 3 4 11
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| 56 | 3 4 10
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| 57 | 3 4 10
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| 58 | 3 6 10
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| 59 | 3 6 10
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| 60 | 2 3 7
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| 61 | 3 7 11
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| 62 | 7 8 12
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| 63 | 7 11 12
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