Action_Thermostats
Adding_Graph_to_ChangeBondActions
Adding_MD_integration_tests
Adding_StructOpt_integration_tests
AutomationFragmentation_failures
Candidate_v1.6.1
Candidate_v1.7.0
Candidate_v1.7.1
ChemicalSpaceEvaluator
Enhanced_StructuralOptimization
Enhanced_StructuralOptimization_continued
Example_ManyWaysToTranslateAtom
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
TremoloParser_MultipleTimesteps
stable
|
Last change
on this file since 70f2a1 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:
567 bytes
|
| Line | |
|---|
| 1 | TITLE = "3D CONVEX SHELL"
|
|---|
| 2 | VARIABLES = "X" "Y" "Z" "U"
|
|---|
| 3 | ZONE T="dimethyl_bromomalonate", N=12, E=22, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
|
|---|
| 4 | -0.6406 -1.6032 -0.0372 4
|
|---|
| 5 | -1.9718 0.9798 0.2121 8
|
|---|
| 6 | -0.4729 2.3533 -0.654 1
|
|---|
| 7 | 2.6131 0.4236 -0.5619 3
|
|---|
| 8 | 1.4498 0.407 1.3168 2
|
|---|
| 9 | 0.3723 0.0334 -1.7037 1
|
|---|
| 10 | -3.142 2.5705 -0.4602 1
|
|---|
| 11 | -3.7944 1.6866 0.9403 3
|
|---|
| 12 | -2.4137 2.7904 1.149 1
|
|---|
| 13 | 3.7888 1.58 0.7156 1
|
|---|
| 14 | 4.0276 -0.1788 0.8479 1
|
|---|
| 15 | 4.6801 0.705 -0.5526 0
|
|---|
| 16 |
|
|---|
| 17 | 4 11 12
|
|---|
| 18 | 1 4 11
|
|---|
| 19 | 1 4 6
|
|---|
| 20 | 1 5 11
|
|---|
| 21 | 1 2 5
|
|---|
| 22 | 2 5 9
|
|---|
| 23 | 2 8 9
|
|---|
| 24 | 1 2 8
|
|---|
| 25 | 1 2 8
|
|---|
| 26 | 2 7 8
|
|---|
| 27 | 2 6 7
|
|---|
| 28 | 1 2 6
|
|---|
| 29 | 3 6 7
|
|---|
| 30 | 3 4 6
|
|---|
| 31 | 3 4 10
|
|---|
| 32 | 4 10 12
|
|---|
| 33 | 3 5 10
|
|---|
| 34 | 3 5 9
|
|---|
| 35 | 3 7 9
|
|---|
| 36 | 7 8 9
|
|---|
| 37 | 5 10 11
|
|---|
| 38 | 10 11 12
|
|---|
Note:
See
TracBrowser
for help on using the repository browser.
