source: src/FunctionApproximation@ 6efcae

Action_Thermostats Add_AtomRandomPerturbation Add_FitFragmentPartialChargesAction Add_RotateAroundBondAction Add_SelectAtomByNameAction Added_ParseSaveFragmentResults AddingActions_SaveParseParticleParameters Adding_Graph_to_ChangeBondActions Adding_MD_integration_tests Adding_ParticleName_to_Atom Adding_StructOpt_integration_tests AtomFragments Automaking_mpqc_open AutomationFragmentation_failures Candidate_v1.5.4 Candidate_v1.6.0 Candidate_v1.6.1 Candidate_v1.7.0 ChangeBugEmailaddress ChangingTestPorts ChemicalSpaceEvaluator CombiningParticlePotentialParsing Combining_Subpackages Debian_Package_split Debian_package_split_molecuildergui_only Disabling_MemDebug Docu_Python_wait EmpiricalPotential_contain_HomologyGraph EmpiricalPotential_contain_HomologyGraph_documentation Enable_parallel_make_install Enhance_userguide Enhanced_StructuralOptimization Enhanced_StructuralOptimization_continued Example_ManyWaysToTranslateAtom Exclude_Hydrogens_annealWithBondGraph FitPartialCharges_GlobalError Fix_BoundInBox_CenterInBox_MoleculeActions Fix_ChargeSampling_PBC Fix_ChronosMutex Fix_FitPartialCharges Fix_FitPotential_needs_atomicnumbers Fix_ForceAnnealing Fix_IndependentFragmentGrids Fix_ParseParticles Fix_ParseParticles_split_forward_backward_Actions Fix_PopActions Fix_QtFragmentList_sorted_selection Fix_Restrictedkeyset_FragmentMolecule Fix_StatusMsg Fix_StepWorldTime_single_argument Fix_Verbose_Codepatterns Fix_fitting_potentials Fixes ForceAnnealing_goodresults ForceAnnealing_oldresults ForceAnnealing_tocheck ForceAnnealing_with_BondGraph ForceAnnealing_with_BondGraph_continued ForceAnnealing_with_BondGraph_continued_betteresults ForceAnnealing_with_BondGraph_contraction-expansion FragmentAction_writes_AtomFragments FragmentMolecule_checks_bonddegrees GeometryObjects Gui_Fixes Gui_displays_atomic_force_velocity ImplicitCharges IndependentFragmentGrids IndependentFragmentGrids_IndividualZeroInstances IndependentFragmentGrids_IntegrationTest IndependentFragmentGrids_Sole_NN_Calculation JobMarket_RobustOnKillsSegFaults JobMarket_StableWorkerPool JobMarket_unresolvable_hostname_fix MoreRobust_FragmentAutomation ODR_violation_mpqc_open PartialCharges_OrthogonalSummation PdbParser_setsAtomName PythonUI_with_named_parameters QtGui_reactivate_TimeChanged_changes Recreated_GuiChecks Rewrite_FitPartialCharges RotateToPrincipalAxisSystem_UndoRedo SaturateAtoms_findBestMatching SaturateAtoms_singleDegree StoppableMakroAction Subpackage_CodePatterns Subpackage_JobMarket Subpackage_LinearAlgebra Subpackage_levmar Subpackage_mpqc_open Subpackage_vmg Switchable_LogView ThirdParty_MPQC_rebuilt_buildsystem TrajectoryDependenant_MaxOrder TremoloParser_IncreasedPrecision TremoloParser_MultipleTimesteps TremoloParser_setsAtomName Ubuntu_1604_changes stable
Name Size Rev Age Author Last Change
../
unittests 691be4   13 years FrederikHeber FunctionArgument now contains charges, too, and rewrote Extractors …
Extractors.cpp 11.4 KB ​ 691be4   13 years FrederikHeber FunctionArgument now contains charges, too, and rewrote Extractors …
Extractors.hpp 7.3 KB ​ 691be4   13 years FrederikHeber FunctionArgument now contains charges, too, and rewrote Extractors …
FunctionApproximation.cpp 13.5 KB ​ 69ab84   13 years FrederikHeber FunctionApproximation's cstor now accepts TrainingData instance directly.
FunctionApproximation.hpp 5.7 KB ​ 69ab84   13 years FrederikHeber FunctionApproximation's cstor now accepts TrainingData instance directly.
FunctionArgument.cpp 1.4 KB ​ 691be4   13 years FrederikHeber FunctionArgument now contains charges, too, and rewrote Extractors …
FunctionArgument.hpp 3.7 KB ​ 691be4   13 years FrederikHeber FunctionArgument now contains charges, too, and rewrote Extractors …
FunctionModel.hpp 3.1 KB ​ d03292   13 years FrederikHeber Implemented box constraints for FunctionModel, using a feature of …
Makefile.am 3.6 KB ​ 04cc7e   13 years FrederikHeber Added pretty printer for distance-energy tables. - added …
TrainingData.cpp 5.7 KB ​ dd8094   13 years FrederikHeber Added getTrainingOutputAverage() used to initialize all_energy_offset …
TrainingData.hpp 3.7 KB ​ dd8094   13 years FrederikHeber Added getTrainingOutputAverage() used to initialize all_energy_offset …
writeDistanceEnergyTable.hpp 2.1 KB ​ 04cc7e   13 years FrederikHeber Added pretty printer for distance-energy tables. - added …
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