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
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File size:
633 bytes
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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="dimethyl_bromomalonate", N=14, E=24, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
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| 4 | -0.782 1.223 -0.3596 3
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| 5 | 1.4571 0.3173 0.1119 3
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| 6 | -0.6406 -1.6032 -0.0372 1
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| 7 | -1.9718 0.9798 0.2121 3
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| 8 | -0.4729 2.3533 -0.654 2
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| 9 | 2.6131 0.4236 -0.5619 2
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| 10 | 1.4498 0.407 1.3168 3
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| 11 | 0.3723 0.0334 -1.7037 1
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| 12 | -3.142 2.5705 -0.4602 0
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| 13 | -3.7944 1.6866 0.9403 0
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| 14 | -2.4137 2.7904 1.149 1
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| 15 | 3.7888 1.58 0.7156 1
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| 16 | 4.0276 -0.1788 0.8479 0
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| 17 | 4.6801 0.705 -0.5526 0
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| 18 |
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| 19 | 6 13 14
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| 20 | 2 6 13
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| 21 | 2 3 6
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| 25 | 3 4 7
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| 26 | 4 7 11
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| 27 | 4 10 11
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| 29 | 5 7 12
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| 30 | 5 6 12
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| 31 | 6 12 14
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| 32 | 5 6 8
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| 33 | 1 5 8
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| 34 | 1 5 9
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| 35 | 1 4 9
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| 36 | 1 4 8
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| 38 | 4 9 10
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| 39 | 5 9 11
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| 40 | 9 10 11
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| 41 | 7 12 13
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| 42 | 12 13 14
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