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
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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:
478 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="1_2-dimethylbenzene", N=10, E=16, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
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| 4 | 2.1318 -1.625 1.029 0
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| 5 | 1.6853 -2.3976 -0.5112 0
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| 6 | 2.5753 -0.8561 -0.5138 0
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| 7 | -0.6863 -2.4623 -0.0054 0
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| 8 | 2.1297 1.625 -1.0302 0
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| 9 | 1.6864 2.3976 0.5109 0
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| 10 | 2.5763 0.8561 0.5118 0
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| 11 | -0.6863 2.4624 -0.001 0
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| 12 | -2.8186 -1.2313 -0.0047 0
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| 13 | -2.8186 1.2313 0.0027 0
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| 14 |
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| 15 | 3 5 7
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| 16 | 5 6 7
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| 17 | 1 3 7
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| 18 | 1 2 3
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| 19 | 5 6 8
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| 20 | 5 8 10
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| 22 | 2 5 9
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| 23 | 2 4 9
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| 24 | 2 3 5
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| 27 | 1 9 10
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| 28 | 1 6 10
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| 29 | 6 8 10
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| 30 | 1 6 7
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