Action_Thermostats
Add_SelectAtomByNameAction
Adding_Graph_to_ChangeBondActions
Adding_MD_integration_tests
Adding_StructOpt_integration_tests
AutomationFragmentation_failures
Candidate_v1.6.1
ChemicalSpaceEvaluator
EmpiricalPotential_contain_HomologyGraph_documentation
Enhanced_StructuralOptimization
Enhanced_StructuralOptimization_continued
Example_ManyWaysToTranslateAtom
Exclude_Hydrogens_annealWithBondGraph
Fix_Verbose_Codepatterns
ForceAnnealing_oldresults
ForceAnnealing_with_BondGraph
ForceAnnealing_with_BondGraph_continued
ForceAnnealing_with_BondGraph_continued_betteresults
ForceAnnealing_with_BondGraph_contraction-expansion
Gui_displays_atomic_force_velocity
IndependentFragmentGrids_IntegrationTest
JobMarket_RobustOnKillsSegFaults
JobMarket_StableWorkerPool
PythonUI_with_named_parameters
Recreated_GuiChecks
StoppableMakroAction
TremoloParser_IncreasedPrecision
TremoloParser_MultipleTimesteps
|
Last change
on this file since 3f6aac was 33ee99, checked in by Frederik Heber <heber@…>, 10 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:
1.0 KB
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| 1 | TITLE = "3D CONVEX SHELL"
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| 2 | VARIABLES = "X" "Y" "Z" "U"
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| 3 | ZONE T="neohexane", N=19, E=62, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
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| 4 | -0.8142 0.0005 0.9062 12
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| 5 | 0.4079 1.2487 -0.8801 13
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| 6 | 1.684 0.0005 0.8681 12
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| 7 | 0.4079 -1.2498 -0.8786 12
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| 8 | -2.0768 0 0.0421 9
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| 9 | -0.8046 -0.8891 1.536 4
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| 10 | -0.8046 0.8909 1.5349 4
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| 11 | 1.2882 1.2483 -1.5229 3
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| 12 | -0.4916 1.2484 -1.4957 2
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| 13 | 0.4175 2.1391 -0.2514 3
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| 14 | 1.6936 0.8909 1.4968 3
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| 15 | 1.6936 -0.8891 1.4978 4
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| 16 | 2.5642 0.0001 0.2252 5
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| 17 | -0.4916 -1.2501 -1.4943 2
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| 18 | 1.2882 -1.2501 -1.5214 4
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| 19 | 0.4175 -2.1394 -0.2488 4
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| 20 | -2.0864 -0.8903 -0.5867 5
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| 21 | -2.9571 0.0004 0.6849 5
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| 22 | -2.0864 0.8896 -0.5877 4
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| 23 |
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| 24 | 3 12 13
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| 25 | 3 12 13
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| 26 | 3 4 13
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| 27 | 4 13 15
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| 28 | 3 4 12
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| 29 | 4 12 16
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| 30 | 4 15 16
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| 31 | 4 15 16
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| 32 | 3 11 13
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| 33 | 3 11 13
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| 34 | 2 3 13
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| 35 | 2 8 13
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| 43 | 2 9 14
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| 45 | 4 14 15
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| 47 | 2 4 15
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| 48 | 2 8 15
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| 49 | 3 11 12
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| 50 | 3 11 12
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| 51 | 3 7 11
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| 52 | 1 3 7
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| 53 | 1 6 7
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| 54 | 1 6 7
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| 55 | 1 7 18
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| 56 | 1 6 18
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| 57 | 1 3 6
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| 58 | 3 6 12
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| 59 | 4 14 16
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| 60 | 14 16 17
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| 65 | 1 4 17
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| 66 | 9 10 19
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| 67 | 2 10 19
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| 68 | 2 7 10
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| 69 | 1 2 7
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| 72 | 5 6 17
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| 75 | 5 6 18
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| 76 | 5 17 19
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| 78 | 5 18 19
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| 79 | 5 7 19
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| 80 | 5 7 18
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| 81 | 14 17 19
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| 82 | 9 14 19
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| 83 | 8 13 15
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| 84 | 6 12 16
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| 85 | 7 10 11
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