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
Docu_Python_wait
EmpiricalPotential_contain_HomologyGraph_documentation
Enhance_userguide
Enhanced_StructuralOptimization
Enhanced_StructuralOptimization_continued
Example_ManyWaysToTranslateAtom
Exclude_Hydrogens_annealWithBondGraph
Fix_StepWorldTime_single_argument
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
| Line | |
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| 1 |
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| 2 | function:(
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| 3 | quad1<Quadratic>: (
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| 4 | initialx = [ 0.0 0.0 ]
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| 5 | x0 = [ 1.0 1.0 ]
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| 6 | g0 = [ 0.0 0.0 ]
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| 7 | h0 = [ [ 2.0 ]
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| 8 | [ 0.0 2.0 ] ]
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| 9 | hguess = [ [ 2.0 ]
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| 10 | [ 0.0 1.5 ] ]
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| 11 | )
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| 12 | )
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| 13 |
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| 14 | opt: [
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| 15 | <QNewtonOpt>: (
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| 16 | convergence = 0.0000001
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| 17 | function = $:function:quad1
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| 18 | update<BFGSUpdate>:()
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| 19 | )
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| 20 | ]
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| 21 |
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| 22 | % Local Variables:
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| 23 | % mode: keyval
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| 24 | % End:
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