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:
637 bytes
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| Line | |
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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="neohexane", N=14, E=24, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
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| 4 | -0.8046 -0.8891 1.536 1
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| 5 | -0.8046 0.8909 1.5349 1
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|---|
| 6 | 1.2882 1.2483 -1.5229 0
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|---|
| 7 | -0.4916 1.2484 -1.4957 0
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|---|
| 8 | 0.4175 2.1391 -0.2514 0
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|---|
| 9 | 1.6936 0.8909 1.4968 0
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|---|
| 10 | 1.6936 -0.8891 1.4978 0
|
|---|
| 11 | 2.5642 0.0001 0.2252 0
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|---|
| 12 | -0.4916 -1.2501 -1.4943 0
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|---|
| 13 | 1.2882 -1.2501 -1.5214 0
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|---|
| 14 | 0.4175 -2.1394 -0.2488 0
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|---|
| 15 | -2.0864 -0.8903 -0.5867 1
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| 16 | -2.9571 0.0004 0.6849 0
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| 17 | -2.0864 0.8896 -0.5877 1
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| 18 |
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| 19 | 6 7 8
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| 20 | 7 8 10
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| 21 | 7 10 11
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| 22 | 3 8 10
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| 23 | 3 6 8
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| 24 | 3 5 6
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| 25 | 3 9 10
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| 26 | 3 4 9
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| 27 | 4 9 14
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| 28 | 9 12 14
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| 29 | 12 13 14
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| 30 | 1 7 11
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| 31 | 1 11 12
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| 32 | 1 12 13
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| 33 | 9 11 12
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| 34 | 9 10 11
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| 35 | 1 6 7
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| 36 | 1 2 6
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| 37 | 1 2 13
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| 38 | 2 5 6
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| 39 | 2 5 14
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| 40 | 2 13 14
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| 41 | 4 5 14
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| 42 | 3 4 5
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