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:
555 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="tartaric_acid", N=12, E=20, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
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| 4 | 0.2532 -0.939 -1.3895 1
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| 5 | -0.2532 -0.939 1.3894 1
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| 6 | 2.6448 -0.6784 -0.3905 1
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| 7 | 2.3422 1.2345 0.6738 1
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| 8 | -2.6447 -0.6784 0.3905 1
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| 9 | -2.3422 1.2345 -0.6738 1
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| 10 | 0.3069 1.1178 -1.2012 1
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| 11 | -0.3069 1.1177 1.2013 1
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| 12 | 0.4163 -1.7017 -0.8178 0
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| 13 | -0.4162 -1.7017 0.8178 0
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|---|
| 14 | 3.2546 1.2345 0.9941 0
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| 15 | -3.2546 1.2345 -0.994 0
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| 16 |
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| 17 | 3 7 11
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| 18 | 1 3 7
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| 19 | 1 7 12
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| 20 | 1 3 9
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| 21 | 1 5 12
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| 22 | 1 5 9
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| 23 | 5 9 10
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| 24 | 4 7 11
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| 25 | 4 6 7
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| 26 | 4 6 8
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| 27 | 4 8 11
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| 28 | 6 7 12
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| 29 | 6 8 12
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| 30 | 5 8 12
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| 31 | 2 5 8
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| 32 | 2 8 11
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| 33 | 2 5 10
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| 34 | 2 3 11
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| 35 | 2 3 10
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| 36 | 3 9 10
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