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
|
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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20 |
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21 | 3 7 15
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22 | 3 7 15
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25 | 3 8 12
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38 | 6 13 14
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39 | 3 8 11
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54 | 2 5 14
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56 | 2 4 5
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57 | 4 13 14
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58 | 5 10 12
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60 | 2 11 12
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61 | 2 10 11
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62 | 1 8 11
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63 | 1 11 12
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64 | 1 8 12
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