Changeset f5dbea for src/Actions
- Timestamp:
- Nov 11, 2016, 2:25:36 PM (8 years ago)
- Branches:
- 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, ChangeBugEmailaddress, ChangingTestPorts, ChemicalSpaceEvaluator, 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_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_CodePatterns, Subpackage_JobMarket, Subpackage_LinearAlgebra, Subpackage_levmar, Subpackage_mpqc_open, Subpackage_vmg, ThirdParty_MPQC_rebuilt_buildsystem, TremoloParser_IncreasedPrecision, TremoloParser_MultipleTimesteps, Ubuntu_1604_changes, stable
- Children:
- 1155ba
- Parents:
- 9c793c
- git-author:
- Frederik Heber <heber@…> (10/08/16 07:55:53)
- git-committer:
- Frederik Heber <heber@…> (11/11/16 14:25:36)
- File:
-
- 1 edited
Legend:
- Unmodified
- Added
- Removed
-
src/Actions/PotentialAction/FitPartialChargesAction.cpp
r9c793c rf5dbea 449 449 450 450 if (average_charge != 0.) { 451 LOG(2, "DEBUG: For atom " << * atomiter << " we have an average charge of "451 LOG(2, "DEBUG: For atom " << **atomiter << " we have an average charge of " 452 452 << average_charge); 453 453 … … 502 502 GraphIndices.insert( detail::GraphIndices_t::value_type(AtomsGraphIndices, walkerid) ); 503 503 504 LOG(2, "DEBUG: Atom #" << walkerid << "," << * atomiter << ". has graph indices "504 LOG(2, "DEBUG: Atom #" << walkerid << "," << **atomiter << ". has graph indices " 505 505 << AtomsGraphIndices); 506 506 }
Note:
See TracChangeset
for help on using the changeset viewer.