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:
832 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=18, E=36, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
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| 4 | 0.3772 -0.3291 -0.6807 3
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| 5 | 1.6687 0.1728 -0.0881 10
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| 6 | 0.2541 -1.7722 -0.4353 1
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| 7 | 2.1353 -0.3658 0.8877 2
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| 8 | 2.3008 1.2182 -0.6443 5
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| 9 | 0.373 -0.1415 -1.7544 2
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| 10 | -0.7085 1.4717 -0.2128 3
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| 11 | 0.2625 -1.8979 0.5658 1
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| 12 | -0.6641 -2.0432 -0.7539 0
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| 13 | -2.1153 0.079 -1.706 1
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| 14 | -2.2024 -1.1795 -0.4502 2
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| 15 | 0.1403 0.5006 1.9051 4
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| 16 | -1.6324 0.6577 1.9395 1
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| 17 | -0.8852 -0.9332 1.6585 0
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| 18 | 3.1295 1.5403 -0.2641 2
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| 19 | -3.2838 0.4338 1.0914 1
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| 20 | -3.1968 1.6922 -0.1644 0
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| 21 | -4.2222 0.2583 -0.4109 0
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| 22 |
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| 23 | 2 4 15
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| 25 | 2 5 15
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| 33 | 1 2 6
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| 48 | 9 11 14
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| 50 | 13 14 16
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| 51 | 11 16 18
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| 52 | 12 13 14
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| 53 | 8 12 14
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| 54 | 4 8 12
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| 55 | 10 17 18
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| 56 | 7 10 17
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| 57 | 6 7 10
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| 58 | 5 6 7
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