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:
638 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=14, E=24, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
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| 4 | 1.9014 0.2278 -0.0969 4
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| 5 | 0.2532 -0.939 -1.3895 1
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| 6 | -1.9014 0.2278 0.0969 3
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| 7 | -0.2532 -0.939 1.3894 1
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| 8 | 2.6448 -0.6784 -0.3905 2
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| 9 | 2.3422 1.2345 0.6738 1
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| 10 | -2.6447 -0.6784 0.3905 2
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| 11 | -2.3422 1.2345 -0.6738 1
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| 12 | 0.3069 1.1178 -1.2012 2
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| 13 | -0.3069 1.1177 1.2013 2
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| 14 | 0.4163 -1.7017 -0.8178 0
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| 15 | -0.4162 -1.7017 0.8178 0
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| 16 | 3.2546 1.2345 0.9941 1
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| 17 | -3.2546 1.2345 -0.994 0
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| 18 |
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| 19 | 1 5 13
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| 20 | 1 6 13
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| 21 | 1 6 9
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| 28 | 2 7 11
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| 29 | 7 11 12
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| 32 | 6 10 13
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| 39 | 3 8 10
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| 40 | 3 8 14
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| 41 | 3 7 14
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| 42 | 4 7 12
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