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:
1.1 KB
|
| Line | |
|---|
| 1 | TITLE = "3D CONVEX SHELL"
|
|---|
| 2 | VARIABLES = "X" "Y" "Z" "U"
|
|---|
| 3 | ZONE T="cycloheptane", N=21, E=60, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
|
|---|
| 4 | -1.5167 0.7428 0.1234 6
|
|---|
| 5 | -1.5167 -0.7429 -0.1234 6
|
|---|
| 6 | -0.2715 1.41 -0.4687 9
|
|---|
| 7 | -0.2715 -1.41 0.4688 9
|
|---|
| 8 | 0.9161 1.188 0.4734 9
|
|---|
| 9 | 0.9162 -1.1879 -0.4734 9
|
|---|
| 10 | 1.741 0 0 6
|
|---|
| 11 | -2.4055 1.1795 -0.332 3
|
|---|
| 12 | -1.542 0.9255 1.1977 3
|
|---|
| 13 | -2.4055 -1.1797 0.332 3
|
|---|
| 14 | -1.5419 -0.9255 -1.1977 3
|
|---|
| 15 | -0.0513 0.9711 -1.4419 5
|
|---|
| 16 | -0.4508 2.4791 -0.5829 6
|
|---|
| 17 | -0.0512 -0.9711 1.4419 5
|
|---|
| 18 | -0.4507 -2.4791 0.5829 6
|
|---|
| 19 | 1.541 2.081 0.4843 5
|
|---|
| 20 | 0.5475 0.994 1.4806 3
|
|---|
| 21 | 1.5411 -2.0809 -0.4843 5
|
|---|
| 22 | 0.5475 -0.994 -1.4806 3
|
|---|
| 23 | 2.3793 0.3271 -0.8208 4
|
|---|
| 24 | 2.3793 -0.327 0.8208 4
|
|---|
| 25 |
|
|---|
| 26 | 7 20 21
|
|---|
| 27 | 7 20 21
|
|---|
| 28 | 7 16 20
|
|---|
| 29 | 7 18 21
|
|---|
| 30 | 7 16 21
|
|---|
| 31 | 7 18 20
|
|---|
| 32 | 6 18 20
|
|---|
| 33 | 6 18 19
|
|---|
| 34 | 6 18 19
|
|---|
| 35 | 6 19 20
|
|---|
| 36 | 6 15 18
|
|---|
| 37 | 6 15 19
|
|---|
| 38 | 4 15 19
|
|---|
| 39 | 4 11 15
|
|---|
| 40 | 4 11 19
|
|---|
| 41 | 2 11 15
|
|---|
| 42 | 2 10 11
|
|---|
| 43 | 2 10 15
|
|---|
| 44 | 5 16 21
|
|---|
| 45 | 5 16 17
|
|---|
| 46 | 5 16 17
|
|---|
| 47 | 5 17 21
|
|---|
| 48 | 5 13 16
|
|---|
| 49 | 5 13 17
|
|---|
| 50 | 3 13 17
|
|---|
| 51 | 3 9 13
|
|---|
| 52 | 3 9 17
|
|---|
| 53 | 1 9 13
|
|---|
| 54 | 1 8 9
|
|---|
| 55 | 1 8 13
|
|---|
| 56 | 12 19 20
|
|---|
| 57 | 14 17 21
|
|---|
| 58 | 11 12 19
|
|---|
| 59 | 1 11 12
|
|---|
| 60 | 1 8 11
|
|---|
| 61 | 1 8 12
|
|---|
| 62 | 3 8 12
|
|---|
| 63 | 3 12 13
|
|---|
| 64 | 3 12 13
|
|---|
| 65 | 3 8 13
|
|---|
| 66 | 3 13 16
|
|---|
| 67 | 3 12 16
|
|---|
| 68 | 5 12 16
|
|---|
| 69 | 5 16 20
|
|---|
| 70 | 5 12 20
|
|---|
| 71 | 9 14 17
|
|---|
| 72 | 2 9 14
|
|---|
| 73 | 2 9 10
|
|---|
| 74 | 2 10 14
|
|---|
| 75 | 4 10 14
|
|---|
| 76 | 4 14 15
|
|---|
| 77 | 4 14 15
|
|---|
| 78 | 4 10 15
|
|---|
| 79 | 4 15 18
|
|---|
| 80 | 4 14 18
|
|---|
| 81 | 6 14 18
|
|---|
| 82 | 6 18 21
|
|---|
| 83 | 6 14 21
|
|---|
| 84 | 8 9 10
|
|---|
| 85 | 8 10 11
|
|---|
Note:
See
TracBrowser
for help on using the repository browser.
