Action_Thermostats
Add_AtomRandomPerturbation
Add_RotateAroundBondAction
Add_SelectAtomByNameAction
Adding_Graph_to_ChangeBondActions
Adding_MD_integration_tests
Adding_StructOpt_integration_tests
AutomationFragmentation_failures
Candidate_v1.6.0
Candidate_v1.6.1
ChangeBugEmailaddress
ChangingTestPorts
ChemicalSpaceEvaluator
Combining_Subpackages
Debian_Package_split
Debian_package_split_molecuildergui_only
Disabling_MemDebug
Docu_Python_wait
EmpiricalPotential_contain_HomologyGraph_documentation
Enable_parallel_make_install
Enhance_userguide
Enhanced_StructuralOptimization
Enhanced_StructuralOptimization_continued
Example_ManyWaysToTranslateAtom
Exclude_Hydrogens_annealWithBondGraph
FitPartialCharges_GlobalError
Fix_ChronosMutex
Fix_StatusMsg
Fix_StepWorldTime_single_argument
Fix_Verbose_Codepatterns
ForceAnnealing_goodresults
ForceAnnealing_oldresults
ForceAnnealing_tocheck
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
JobMarket_unresolvable_hostname_fix
ODR_violation_mpqc_open
PartialCharges_OrthogonalSummation
PythonUI_with_named_parameters
QtGui_reactivate_TimeChanged_changes
Recreated_GuiChecks
RotateToPrincipalAxisSystem_UndoRedo
StoppableMakroAction
Subpackage_levmar
Subpackage_vmg
ThirdParty_MPQC_rebuilt_buildsystem
TremoloParser_IncreasedPrecision
TremoloParser_MultipleTimesteps
Ubuntu_1604_changes
stable
| 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 ]
|
|---|
| 5 | x0 = [ 1.0 1.0 ]
|
|---|
| 6 | g0 = [ 0.0 0.0 ]
|
|---|
| 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 | )
|
|---|
| 13 |
|
|---|
| 14 | opt: [
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|---|
| 15 | <QNewtonOpt>: (
|
|---|
| 16 | convergence = 0.0000001
|
|---|
| 17 | function = $:function:quad1
|
|---|
| 18 | update<BFGSUpdate>:()
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|---|
| 19 | )
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|---|
| 20 | ]
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|---|
| 21 |
|
|---|
| 22 | % Local Variables:
|
|---|
| 23 | % mode: keyval
|
|---|
| 24 | % End:
|
|---|
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