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:
659 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="2-methylcyclohexanone", N=14, E=26, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
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| 4 | 0.4585 0.8269 0.1271 8
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| 5 | 1.3238 1.5584 -0.2904 2
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| 6 | 2.8899 -0.3488 0.435 1
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| 7 | 2.3635 -2.028 0.168 0
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| 8 | 2.2058 -0.8277 -1.1369 1
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| 9 | 0.6964 -0.7839 1.5174 1
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| 10 | -0.1649 -1.4016 -1.3485 1
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| 11 | -0.1477 -2.5373 0.0223 0
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| 12 | -1.1657 1.3573 1.4173 1
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| 13 | -1.0433 2.3407 -0.0654 0
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| 14 | -2.4294 -1.7002 -0.3251 0
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| 15 | -1.7907 -1.0743 1.2124 0
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| 16 | -2.9493 0.6912 -0.128 0
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| 17 | -1.7656 0.443 -1.4344 1
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| 43 | 1 5 7
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