Action_Thermostats
Adding_MD_integration_tests
Adding_StructOpt_integration_tests
AutomationFragmentation_failures
Candidate_v1.6.1
ChemicalSpaceEvaluator
Enhanced_StructuralOptimization
Enhanced_StructuralOptimization_continued
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
|
Last change
on this file since 9a1e099 was 7811bf, checked in by Frederik Heber <heber@…>, 14 years ago |
|
Changed regression testsuite structure of Fragmentation.
- all numbered test cases now have meaningful names.
- renamed token of FragmentMoleculeAction: fragment-mol -> fragment-molecule.
- removed test case 1 where test.conf is checked, this is made sure elswhere.
|
-
Property mode
set to
100644
|
|
File size:
270 bytes
|
| Line | |
|---|
| 1 | 8
|
|---|
| 2 | Created by molecuilder on Tue Oct 6 19:01:29 2009
|
|---|
| 3 | C 8.53279 4.15859 3.53589
|
|---|
| 4 | C 7.28359 3.27519 3.53589
|
|---|
| 5 | H 8.53279 4.78789 2.64589
|
|---|
| 6 | H 8.53279 4.78789 4.42589
|
|---|
| 7 | H 9.42276 3.52927 3.53589
|
|---|
| 8 | H 6.39363 3.90454 3.53589
|
|---|
| 9 | H 7.28359 2.64589 2.64589
|
|---|
| 10 | H 7.28359 2.64589 4.42589
|
|---|
Note:
See
TracBrowser
for help on using the repository browser.
