Action_Thermostats
Add_AtomRandomPerturbation
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
GeometryObjects
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 2eded3e was a8ae6d, checked in by Frederik Heber <heber@…>, 13 years ago |
|
TESTFIX: Separated regression test Analysis/DipoleAngularCorrelation.
- now parts explicitly tests whether periodic boundaries are working correctly
while the other has molecules entirely within its domain and boundary
conditions are of no importance.
|
-
Property mode
set to
100644
|
|
File size:
79 bytes
|
| Line | |
|---|
| 1 | BinStart BinCenter BinEnd FirstAtomOfMolecule
|
|---|
| 2 | 99.906381 0 0 O1,(5.098,5,4.917)
|
|---|
Note:
See
TracBrowser
for help on using the repository browser.
