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
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|
File size:
735 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=15, E=36, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
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| 4 | 0.1684 0.0862 -0.6343 10
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| 5 | -0.782 1.223 -0.3596 9
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| 6 | 1.4571 0.3173 0.1119 6
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| 7 | -0.6406 -1.6032 -0.0372 5
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| 8 | -1.9718 0.9798 0.2121 6
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| 9 | -0.4729 2.3533 -0.654 3
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| 10 | 2.6131 0.4236 -0.5619 2
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| 11 | 1.4498 0.407 1.3168 6
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| 12 | 0.3723 0.0334 -1.7037 3
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| 13 | -3.142 2.5705 -0.4602 0
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| 14 | -3.7944 1.6866 0.9403 0
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| 15 | -2.4137 2.7904 1.149 0
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| 16 | 3.7888 1.58 0.7156 0
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| 17 | 4.0276 -0.1788 0.8479 0
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| 18 | 4.6801 0.705 -0.5526 0
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| 19 |
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| 20 | 7 14 15
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| 21 | 3 7 14
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| 22 | 3 8 14
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| 37 | 1 3 4
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| 38 | 2 5 12
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| 41 | 2 5 10
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| 45 | 3 8 13
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| 46 | 3 7 13
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| 47 | 3 6 7
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| 48 | 6 7 9
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| 49 | 5 10 11
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| 50 | 5 11 12
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| 51 | 7 13 15
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| 52 | 6 10 12
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| 53 | 10 11 12
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| 54 | 8 13 14
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| 55 | 13 14 15
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