Changeset 9a4772

Timestamp:

Jul 3, 2017, 3:01:38 PM (7 years ago)

Author:

Frederik Heber <frederik.heber@…>

Branches:

Action_Thermostats, Add_SelectAtomByNameAction, Adding_Graph_to_ChangeBondActions, Adding_MD_integration_tests, Adding_StructOpt_integration_tests, AutomationFragmentation_failures, Candidate_v1.6.1, ChemicalSpaceEvaluator, EmpiricalPotential_contain_HomologyGraph_documentation, Enhance_userguide, Enhanced_StructuralOptimization, Enhanced_StructuralOptimization_continued, Example_ManyWaysToTranslateAtom, Exclude_Hydrogens_annealWithBondGraph, 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, Recreated_GuiChecks, StoppableMakroAction, TremoloParser_IncreasedPrecision, TremoloParser_MultipleTimesteps

Children:

3f6aac

Parents:

f1cacb

git-author:

Frederik Heber <frederik.heber@…> (05/05/17 09:00:06)

git-committer:

Frederik Heber <frederik.heber@…> (07/03/17 15:01:38)

Message:

AnalyseFragmentResults now always prints energy table, verbosity 1.

File:

• src/Actions/FragmentationAction/AnalyseFragmentationResultsAction.cpp (modified) (2 diffs)

src/Actions/FragmentationAction/AnalyseFragmentationResultsAction.cpp

@@ -124 +124 @@
       writeTable<MPQCDataEnergyMap_t, MPQCDataEnergyVector_noeigenvalues_t >()(
           results.Result_Energy_fused, results.getMaxLevel());
-  LOG(2, "DEBUG: Energy table is \n" << energyresult);
+  LOG(2, "DEBUG: Energy table with cycles is \n" << energyresult);
   std::string filename;
   filename += FRAGMENTPREFIX + std::string("_CycleEnergy.dat");
@@ -167 +167 @@
         writeTable<MPQCDataEnergyMap_t, MPQCDataEnergyVector_noeigenvalues_t >()(
             results.Result_Energy_fused, results.getMaxLevel());
-    LOG(2, "DEBUG: Energy table is \n" << energyresult);
+    LOG(1, "DEBUG: Energy table is \n" << energyresult);
     std::string filename;
     filename += FRAGMENTPREFIX + std::string("_Energy.dat");