Action_Thermostats
Add_SelectAtomByNameAction
Adding_Graph_to_ChangeBondActions
Adding_MD_integration_tests
Adding_StructOpt_integration_tests
AutomationFragmentation_failures
Candidate_v1.6.1
ChangeBugEmailaddress
ChemicalSpaceEvaluator
EmpiricalPotential_contain_HomologyGraph_documentation
Enhance_userguide
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
QtGui_reactivate_TimeChanged_changes
Recreated_GuiChecks
StoppableMakroAction
TremoloParser_IncreasedPrecision
TremoloParser_MultipleTimesteps
|
Last change
on this file since 8e9217 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:
561 bytes
|
| Line | |
|---|
| 1 | TITLE = "3D CONVEX SHELL"
|
|---|
| 2 | VARIABLES = "X" "Y" "Z" "U"
|
|---|
| 3 | ZONE T="N_N-dimethylacetamide", N=12, E=24, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
|
|---|
| 4 | 0.24 0.96 1.1 7
|
|---|
| 5 | 0 0.58 2.38 7
|
|---|
| 6 | 0.16 1.34 3.3 3
|
|---|
| 7 | 0.6164 -0.8635 0.1393 2
|
|---|
| 8 | -1.0292 -0.2927 0.0002 1
|
|---|
| 9 | 0.2393 0.4619 -0.9351 0
|
|---|
| 10 | -0.6555 -0.9539 3.6902 3
|
|---|
| 11 | 0.2242 -1.5274 2.2936 0
|
|---|
| 12 | -1.4232 -0.9712 2.1206 0
|
|---|
| 13 | 0.4218 2.999 1.5162 1
|
|---|
| 14 | 0.4063 2.5988 -0.1847 1
|
|---|
| 15 | 1.8297 2.2759 0.7759 1
|
|---|
| 16 |
|
|---|
| 17 | 3 10 12
|
|---|
| 18 | 2 3 12
|
|---|
| 19 | 1 2 12
|
|---|
| 20 | 1 2 4
|
|---|
| 21 | 2 4 8
|
|---|
| 22 | 1 4 12
|
|---|
| 23 | 4 6 12
|
|---|
| 24 | 2 3 7
|
|---|
| 25 | 2 3 7
|
|---|
| 26 | 2 7 8
|
|---|
| 27 | 2 7 9
|
|---|
| 28 | 2 3 10
|
|---|
| 29 | 1 2 10
|
|---|
| 30 | 1 10 11
|
|---|
| 31 | 1 5 11
|
|---|
| 32 | 5 6 11
|
|---|
| 33 | 1 2 5
|
|---|
| 34 | 2 5 9
|
|---|
| 35 | 6 11 12
|
|---|
| 36 | 10 11 12
|
|---|
| 37 | 4 5 6
|
|---|
| 38 | 4 5 9
|
|---|
| 39 | 4 8 9
|
|---|
| 40 | 7 8 9
|
|---|
Note:
See
TracBrowser
for help on using the repository browser.
