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
|
|
File size:
724 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="isoleucine", N=16, E=28, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
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| 4 | 0.2541 -1.7722 -0.4353 0
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| 5 | 2.1353 -0.3658 0.8877 0
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| 6 | 2.3008 1.2182 -0.6443 0
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| 7 | 0.373 -0.1415 -1.7544 0
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| 8 | -0.7085 1.4717 -0.2128 2
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| 9 | 0.2625 -1.8979 0.5658 0
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| 10 | -0.6641 -2.0432 -0.7539 0
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| 11 | -2.1153 0.079 -1.706 2
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| 12 | -2.2024 -1.1795 -0.4502 2
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|---|
| 13 | 0.1403 0.5006 1.9051 0
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|---|
| 14 | -1.6324 0.6577 1.9395 1
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| 15 | -0.8852 -0.9332 1.6585 0
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| 16 | 3.1295 1.5403 -0.2641 0
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| 17 | -3.2838 0.4338 1.0914 1
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| 18 | -3.1968 1.6922 -0.1644 0
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| 19 | -4.2222 0.2583 -0.4109 0
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| 20 |
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| 21 | 1 2 13
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| 22 | 1 4 13
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| 23 | 1 4 7
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| 34 | 8 15 16
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| 44 | 10 11 13
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| 45 | 5 11 13
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| 46 | 5 11 15
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| 47 | 11 14 15
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| 48 | 14 15 16
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