Action_Thermostats
Add_SelectAtomByNameAction
Adding_Graph_to_ChangeBondActions
Adding_MD_integration_tests
Adding_StructOpt_integration_tests
AutomationFragmentation_failures
Candidate_v1.6.1
ChangeBugEmailaddress
ChemicalSpaceEvaluator
EmpiricalPotential_contain_HomologyGraph_documentation
Enhance_userguide
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
QtGui_reactivate_TimeChanged_changes
Recreated_GuiChecks
StoppableMakroAction
TremoloParser_IncreasedPrecision
TremoloParser_MultipleTimesteps
|
Last change
on this file since 8e9217 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:
549 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="N_N-dimethylacetamide", N=12, E=22, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
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| 4 | 0.24 0.96 1.1 3
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| 5 | 0 0.58 2.38 6
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| 6 | 0.16 1.34 3.3 2
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| 7 | 0.6164 -0.8635 0.1393 0
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| 8 | -1.0292 -0.2927 0.0002 1
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| 9 | 0.2393 0.4619 -0.9351 0
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| 10 | -0.6555 -0.9539 3.6902 0
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| 11 | 0.2242 -1.5274 2.2936 1
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| 12 | -1.4232 -0.9712 2.1206 1
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| 13 | 0.4218 2.999 1.5162 1
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| 14 | 0.4063 2.5988 -0.1847 0
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| 15 | 1.8297 2.2759 0.7759 1
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| 16 |
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| 17 | 4 6 12
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| 18 | 6 11 12
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| 19 | 4 8 12
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| 21 | 2 3 12
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| 25 | 10 11 12
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| 27 | 4 5 9
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| 30 | 5 6 11
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| 31 | 5 10 11
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| 32 | 1 5 10
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| 34 | 1 2 5
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| 35 | 2 5 9
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| 36 | 2 3 10
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| 37 | 2 3 9
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| 38 | 3 7 9
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