Action_Thermostats
Add_AtomRandomPerturbation
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
GeometryObjects
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 b5bdb9 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-dimethoxyethane", N=10, E=16, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
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| 4 | 1.2243 -1.6534 0.1956 0
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| 5 | 0.8147 -0.7635 -1.2905 0
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| 6 | -1.2243 -1.6534 -0.1956 0
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| 7 | -0.8147 -0.7635 1.2905 0
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| 8 | 3.2732 1.22 0.2858 0
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|---|
| 9 | 3.2041 -0.5585 0.3057 0
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| 10 | 2.7946 0.3315 -1.1804 0
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|---|
| 11 | -3.2732 1.22 -0.2858 0
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| 12 | -3.2041 -0.5585 -0.3057 0
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| 13 | -2.7946 0.3315 1.1804 0
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| 14 |
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| 15 | 5 6 7
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| 16 | 2 6 7
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| 17 | 1 2 6
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| 18 | 1 2 3
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| 19 | 2 3 9
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| 22 | 5 7 8
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| 27 | 1 3 4
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| 28 | 3 4 9
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| 29 | 4 9 10
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| 30 | 8 9 10
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