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:
613 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="benzene", N=12, E=32, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
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| 4 | -1.6271 0 -0.0007 1
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| 5 | -0.5471 0.0001 -0.0015 4
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| 6 | 0.1541 1.2073 0.0011 6
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| 7 | 0.1544 -1.2075 0.001 4
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| 8 | 1.5338 1.2 0.0007 5
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| 9 | 1.5336 -1.2001 0.0007 6
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| 10 | 2.2223 0.0002 -0.0021 5
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| 11 | -0.3822 2.1448 0.0029 2
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| 12 | -0.3819 -2.1449 0.0036 1
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| 13 | 2.0775 2.1332 0.0024 1
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| 14 | 2.0774 -2.1333 0.0026 2
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| 15 | 3.3023 0.0002 -0.0027 1
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| 16 |
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| 17 | 6 11 12
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| 18 | 6 7 12
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| 19 | 4 6 7
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| 47 | 3 5 10
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| 48 | 3 8 10
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