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:
608 bytes
|
| Line | |
|---|
| 1 | TITLE = "3D CONVEX SHELL"
|
|---|
| 2 | VARIABLES = "X" "Y" "Z" "U"
|
|---|
| 3 | ZONE T="2-methylcyclohexanone", N=13, E=22, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
|
|---|
| 4 | 1.3238 1.5584 -0.2904 1
|
|---|
| 5 | 2.8899 -0.3488 0.435 0
|
|---|
| 6 | 2.3635 -2.028 0.168 0
|
|---|
| 7 | 2.2058 -0.8277 -1.1369 0
|
|---|
| 8 | 0.6964 -0.7839 1.5174 1
|
|---|
| 9 | -0.1649 -1.4016 -1.3485 0
|
|---|
| 10 | -0.1477 -2.5373 0.0223 0
|
|---|
| 11 | -1.1657 1.3573 1.4173 0
|
|---|
| 12 | -1.0433 2.3407 -0.0654 0
|
|---|
| 13 | -2.4294 -1.7002 -0.3251 0
|
|---|
| 14 | -1.7907 -1.0743 1.2124 0
|
|---|
| 15 | -2.9493 0.6912 -0.128 0
|
|---|
| 16 | -1.7656 0.443 -1.4344 0
|
|---|
| 17 |
|
|---|
| 18 | 2 3 4
|
|---|
| 19 | 1 2 4
|
|---|
| 20 | 1 4 13
|
|---|
| 21 | 4 6 13
|
|---|
| 22 | 1 9 13
|
|---|
| 23 | 9 12 13
|
|---|
| 24 | 8 9 12
|
|---|
| 25 | 8 11 12
|
|---|
| 26 | 10 11 12
|
|---|
| 27 | 5 8 11
|
|---|
| 28 | 5 7 11
|
|---|
| 29 | 3 5 7
|
|---|
| 30 | 7 10 11
|
|---|
| 31 | 2 3 5
|
|---|
| 32 | 1 2 5
|
|---|
| 33 | 1 5 8
|
|---|
| 34 | 1 8 9
|
|---|
| 35 | 10 12 13
|
|---|
| 36 | 6 10 13
|
|---|
| 37 | 6 7 10
|
|---|
| 38 | 3 6 7
|
|---|
| 39 | 3 4 6
|
|---|
Note:
See
TracBrowser
for help on using the repository browser.
