Action_Thermostats
Adding_Graph_to_ChangeBondActions
Adding_MD_integration_tests
Adding_StructOpt_integration_tests
AutomationFragmentation_failures
Candidate_v1.6.1
Candidate_v1.7.0
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
stable
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Last change
on this file since 6e5b8d was a8ae6d, checked in by Frederik Heber <heber@…>, 14 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
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File size:
63 bytes
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| 1 | BinStart BinCenter BinEnd FirstAtomOfMolecule
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| 2 | 0 0 0 O1,(5,5,5)
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