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
100755
|
|
File size:
418 bytes
|
| Rev | Line | |
|---|
| [6a7f78c] | 1 | 12
|
|---|
| 2 | Benzene molecule
|
|---|
| 3 | H -1.6271 0.0000 -0.0007
|
|---|
| 4 | C -0.5471 0.0001 -0.0015
|
|---|
| 5 | C 0.1541 1.2073 0.0011
|
|---|
| 6 | C 0.1544 -1.2075 0.0010
|
|---|
| 7 | C 1.5338 1.2000 0.0007
|
|---|
| 8 | C 1.5336 -1.2001 0.0007
|
|---|
| 9 | C 2.2223 0.0002 -0.0021
|
|---|
| 10 | H -0.3822 2.1448 0.0029
|
|---|
| 11 | H -0.3819 -2.1449 0.0036
|
|---|
| 12 | H 2.0775 2.1332 0.0024
|
|---|
| 13 | H 2.0774 -2.1333 0.0026
|
|---|
| 14 | H 3.3023 0.0002 -0.0027
|
|---|
Note:
See
TracBrowser
for help on using the repository browser.
