source: src/lib/math/optimize/opttest.in@ 0b990d

Action_Thermostats Add_AtomRandomPerturbation Add_RotateAroundBondAction Add_SelectAtomByNameAction Adding_Graph_to_ChangeBondActions Adding_MD_integration_tests Adding_StructOpt_integration_tests Automaking_mpqc_open AutomationFragmentation_failures Candidate_v1.6.0 Candidate_v1.6.1 Candidate_v1.7.0 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_mpqc_open Subpackage_vmg ThirdParty_MPQC_rebuilt_buildsystem TremoloParser_IncreasedPrecision TremoloParser_MultipleTimesteps Ubuntu_1604_changes stable
Last change on this file since 0b990d was 0b990d, checked in by Frederik Heber <heber@…>, 9 years ago

Squashed 'ThirdParty/mpqc_open/' content from commit 97a6bc8

git-subtree-dir: ThirdParty/mpqc_open
git-subtree-split: 97a6bc8d52bcf5e201d0e70e32bfe71d21431950
  • Property mode set to 100644
File size: 377 bytes
Line 
1
2function:(
3 quad1<Quadratic>: (
4 initialx = [ 0.0 0.0 ]
5 x0 = [ 1.0 1.0 ]
6 g0 = [ 0.0 0.0 ]
7 h0 = [ [ 2.0 ]
8 [ 0.0 2.0 ] ]
9 hguess = [ [ 2.0 ]
10 [ 0.0 1.5 ] ]
11 )
12 )
13
14opt: [
15 <QNewtonOpt>: (
16 convergence = 0.0000001
17 function = $:function:quad1
18 update<BFGSUpdate>:()
19 )
20 ]
21
22% Local Variables:
23% mode: keyval
24% End:
Note: See TracBrowser for help on using the repository browser.