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:
475 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="dimethyl_bromomalonate", N=10, E=16, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
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| 4 | -0.6406 -1.6032 -0.0372 0
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| 5 | -0.4729 2.3533 -0.654 0
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| 6 | 1.4498 0.407 1.3168 0
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| 7 | 0.3723 0.0334 -1.7037 0
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| 8 | -3.142 2.5705 -0.4602 0
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| 9 | -3.7944 1.6866 0.9403 0
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| 10 | -2.4137 2.7904 1.149 0
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| 11 | 3.7888 1.58 0.7156 0
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| 12 | 4.0276 -0.1788 0.8479 0
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| 13 | 4.6801 0.705 -0.5526 0
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| 14 |
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| 15 | 1 9 10
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| 16 | 1 4 10
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| 17 | 1 4 5
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| 18 | 1 5 6
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| 19 | 2 4 5
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| 20 | 2 4 10
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| 21 | 2 8 10
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| 22 | 2 7 8
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| 23 | 2 5 7
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| 24 | 5 6 7
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| 25 | 3 7 8
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| 26 | 3 8 9
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| 27 | 3 6 7
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| 28 | 1 3 6
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| 29 | 1 3 9
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| 30 | 8 9 10
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