- Timestamp:
- Apr 15, 2013, 6:13:46 PM (12 years ago)
- Branches:
- 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, 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
- Children:
- a3fc46
- Parents:
- eb32b6
- git-author:
- Frederik Heber <heber@…> (03/09/13 13:08:18)
- git-committer:
- Frederik Heber <heber@…> (04/15/13 18:13:46)
- File:
-
- 1 edited
Legend:
- Unmodified
- Added
- Removed
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src/Fragmentation/Summation/OrthogonalSummation_impl.hpp
reb32b6 r1b5a40 19 19 20 20 #include "Fragmentation/Summation/ZeroInstance.hpp" 21 #include "Fragmentation/Summation/printKeyNames.hpp" 21 22 22 23 /** Constructor of class OrthogonalSummation. … … 42 43 subsetmap.reset(new SubsetMap(container)); 43 44 } else { 44 LOG( 1, "INFO: Using given SubsetMap.");45 LOG(2, "DEBUG: Using given SubsetMap for " << printKeyNames::printName<T>() << "."); 45 46 } 46 47 /// instantiate all SubSetValue's by requesting the IndexSet from the Subsetmap … … 48 49 typename InputValues_t::iterator valueiter = values.begin(); 49 50 for (;valueiter != values.end(); ++indexiter, ++valueiter) { 50 LOG( 1, "INFO: Adding set " << **indexiter << " with value " << *valueiter << ".");51 LOG(2, "DEBUG: Adding set " << **indexiter << " with value " << *valueiter << "."); 51 52 setvalues.addValue( *indexiter, *valueiter ); 52 53 } … … 71 72 if (iter->first->size() <= level) 72 73 sum = (iter->second)->getContribution(); 73 LOG( 1, "DEBUG: Contribution from subset "+toString(*(iter->second->getIndexSet()))74 LOG(3, "DEBUG: Contribution from subset "+toString(*(iter->second->getIndexSet())) 74 75 +" is "+toString(sum)+"."); 75 76 for(++iter;(iter != setvalues.end()) && (iter->first->size() <= level); ++iter) { 76 77 const T tempvalue = (iter->second)->getContribution(); 77 78 sum += tempvalue; 78 LOG( 1, "DEBUG: Contribution from subset "+toString(*(iter->second->getIndexSet()))79 LOG(3, "DEBUG: Contribution from subset "+toString(*(iter->second->getIndexSet())) 79 80 +" is "+toString(tempvalue)+"."); 80 81 }
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