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:
831 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=16, E=44, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
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| 4 | 0.4795 0.2278 -0.5961 12
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| 5 | -0.4795 0.2278 0.5961 12
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| 6 | 1.9014 0.2278 -0.0969 10
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| 7 | 0.2532 -0.939 -1.3895 5
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| 8 | -1.9014 0.2278 0.0969 10
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| 9 | -0.2532 -0.939 1.3894 5
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| 10 | 2.6448 -0.6784 -0.3905 3
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| 11 | 2.3422 1.2345 0.6738 4
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| 12 | -2.6447 -0.6784 0.3905 2
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| 13 | -2.3422 1.2345 -0.6738 3
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| 14 | 0.3069 1.1178 -1.2012 6
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| 15 | -0.3069 1.1177 1.2013 6
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| 16 | 0.4163 -1.7017 -0.8178 1
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| 17 | -0.4162 -1.7017 0.8178 1
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| 18 | 3.2546 1.2345 0.9941 3
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| 19 | -3.2546 1.2345 -0.994 1
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| 21 | 3 7 15
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