Action_Thermostats
Adding_MD_integration_tests
Adding_StructOpt_integration_tests
AutomationFragmentation_failures
Candidate_v1.6.1
ChemicalSpaceEvaluator
Enhanced_StructuralOptimization
Enhanced_StructuralOptimization_continued
Exclude_Hydrogens_annealWithBondGraph
Fix_Verbose_Codepatterns
ForceAnnealing_with_BondGraph
ForceAnnealing_with_BondGraph_continued
ForceAnnealing_with_BondGraph_continued_betteresults
ForceAnnealing_with_BondGraph_contraction-expansion
Gui_displays_atomic_force_velocity
JobMarket_RobustOnKillsSegFaults
JobMarket_StableWorkerPool
PythonUI_with_named_parameters
Recreated_GuiChecks
StoppableMakroAction
TremoloParser_IncreasedPrecision
|
Last change
on this file since 3c9ac3 was 33ee99, checked in by Frederik Heber <heber@…>, 11 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:
1.1 KB
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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="2-methylcyclohexanone", N=20, E=66, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
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| 4 | 2.1538 -0.9828 -0.0592 9
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| 5 | 0.7532 -0.6233 0.4408 9
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| 6 | 0.4585 0.8269 0.1271 13
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| 7 | -0.2867 -1.4963 -0.2695 10
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| 8 | 1.3238 1.5584 -0.2904 3
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| 9 | -0.9481 1.3372 0.3495 12
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| 10 | -1.6911 -1.0384 0.1276 9
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| 11 | -1.9262 0.3931 -0.3574 9
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| 12 | 2.8899 -0.3488 0.435 3
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| 13 | 2.3635 -2.028 0.168 3
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| 14 | 2.2058 -0.8277 -1.1369 3
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| 15 | 0.6964 -0.7839 1.5174 5
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| 16 | -0.1649 -1.4016 -1.3485 5
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| 17 | -0.1477 -2.5373 0.0223 4
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| 18 | -1.1657 1.3573 1.4173 5
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| 19 | -1.0433 2.3407 -0.0654 6
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| 20 | -2.4294 -1.7002 -0.3251 4
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| 21 | -1.7907 -1.0743 1.2124 3
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| 22 | -2.9493 0.6912 -0.128 4
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| 23 | -1.7656 0.443 -1.4344 5
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| 83 | 12 14 18
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| 90 | 15 18 19
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