Action_Thermostats
Add_AtomRandomPerturbation
Add_FitFragmentPartialChargesAction
Add_RotateAroundBondAction
Add_SelectAtomByNameAction
Adding_Graph_to_ChangeBondActions
Adding_MD_integration_tests
Adding_StructOpt_integration_tests
Automaking_mpqc_open
AutomationFragmentation_failures
Candidate_v1.5.4
Candidate_v1.6.0
Candidate_v1.6.1
Candidate_v1.7.0
ChangeBugEmailaddress
ChangingTestPorts
ChemicalSpaceEvaluator
Combining_Subpackages
Debian_Package_split
Debian_package_split_molecuildergui_only
Disabling_MemDebug
Docu_Python_wait
EmpiricalPotential_contain_HomologyGraph
EmpiricalPotential_contain_HomologyGraph_documentation
Enable_parallel_make_install
Enhance_userguide
Enhanced_StructuralOptimization
Enhanced_StructuralOptimization_continued
Example_ManyWaysToTranslateAtom
Exclude_Hydrogens_annealWithBondGraph
FitPartialCharges_GlobalError
Fix_ChargeSampling_PBC
Fix_ChronosMutex
Fix_FitPartialCharges
Fix_FitPotential_needs_atomicnumbers
Fix_ForceAnnealing
Fix_IndependentFragmentGrids
Fix_ParseParticles
Fix_ParseParticles_split_forward_backward_Actions
Fix_StatusMsg
Fix_StepWorldTime_single_argument
Fix_Verbose_Codepatterns
ForceAnnealing_goodresults
ForceAnnealing_oldresults
ForceAnnealing_tocheck
ForceAnnealing_with_BondGraph
ForceAnnealing_with_BondGraph_continued
ForceAnnealing_with_BondGraph_continued_betteresults
ForceAnnealing_with_BondGraph_contraction-expansion
GeometryObjects
Gui_displays_atomic_force_velocity
IndependentFragmentGrids_IntegrationTest
JobMarket_RobustOnKillsSegFaults
JobMarket_StableWorkerPool
JobMarket_unresolvable_hostname_fix
ODR_violation_mpqc_open
PartialCharges_OrthogonalSummation
PythonUI_with_named_parameters
QtGui_reactivate_TimeChanged_changes
Recreated_GuiChecks
RotateToPrincipalAxisSystem_UndoRedo
StoppableMakroAction
Subpackage_CodePatterns
Subpackage_JobMarket
Subpackage_LinearAlgebra
Subpackage_levmar
Subpackage_mpqc_open
Subpackage_vmg
ThirdParty_MPQC_rebuilt_buildsystem
TrajectoryDependenant_MaxOrder
TremoloParser_IncreasedPrecision
TremoloParser_MultipleTimesteps
Ubuntu_1604_changes
stable
|
Last change
on this file since 67645e 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
|
|
File size:
1.4 KB
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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="none", N=23, E=64, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
|
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| 4 | -7.27e-07 -1.22006 0.930455 18.7229
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| 5 | -7.27e-07 -1.22006 -0.849545 18.7229
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| 6 | -1.2492 0.921941 0.930455 18.7227
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| 7 | -1.2492 0.921941 -0.849545 18.7227
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| 8 | 1.2492 0.921941 -0.849545 18.7222
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| 9 | 1.2492 0.921941 0.930455 18.7222
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| 10 | -2.4985 -1.22006 -0.849545 19.9769
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| 11 | -2.4985 -1.22006 0.930455 19.9769
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| 12 | 2.4985 -1.22006 0.930455 27.4727
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| 13 | 2.4985 -1.22006 -0.849545 27.4727
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| 14 | -4.6377 -0.336759 0.0404545 21.541
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| 15 | -3.7477 0.921941 0.930455 18.8853
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| 16 | -3.7477 0.921941 -0.849545 18.8853
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| 17 | 4.6377 -0.336759 0.0404545 10.6618
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| 18 | 3.7477 0.921941 -0.849545 18.5406
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| 19 | 3.7477 0.921941 0.930455 18.5406
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| 20 | -7.27e-07 -0.590759 0.0404545 23.0174
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| 21 | -1.2492 0.292641 0.0404545 23.0167
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| 22 | 1.2492 0.292641 0.0404545 23.0172
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| 23 | -2.4985 -0.590759 0.0404545 21.8516
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| 24 | 2.4985 -0.590759 0.0404545 16.0669
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|---|
| 25 | -3.7477 0.292641 0.0404545 39.5267
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| 26 | 3.7477 0.292641 0.0404545 20.5497
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| 27 |
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| 28 | 14 15 23
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| 90 | 2 17 20
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| 91 | 2 7 20
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