- 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:
- 214240
- Parents:
- 1b5a40
- git-author:
- Frederik Heber <heber@…> (03/09/13 13:41:55)
- git-committer:
- Frederik Heber <heber@…> (04/15/13 18:13:46)
- Location:
- src/Fragmentation/Summation
- Files:
-
- 6 edited
Legend:
- Unmodified
- Added
- Removed
-
src/Fragmentation/Summation/Containers/MPQCData_printKeyNames.hpp
r1b5a40 ra3fc46 13 13 #include <config.h> 14 14 #endif 15 16 #include "Fragmentation/Summation/printKeyNames.hpp" 15 17 16 18 //#include <iosfwd> … … 58 60 #endif 59 61 60 //!> this is the macro function which prints the specialized template function 62 /** This is the macro function which prints the specialized template function. 63 * 64 * We need make it inline as it is fully specialized and hence multiple instances 65 * are not combined into one anymore. 66 */ 61 67 #define printName_specializer(z, n, NAMESPACE, TOKENSEQ, NAMESEQ ) \ 62 68 template<> inline std::string printName< NAMESPACE :: BOOST_PP_SEQ_ELEM( n, TOKENSEQ ) >() { \ -
src/Fragmentation/Summation/Containers/VMGData_printKeyNames.hpp
r1b5a40 ra3fc46 13 13 #include <config.h> 14 14 #endif 15 16 #include "Fragmentation/Summation/printKeyNames.hpp" 15 17 16 18 //#include <iosfwd> … … 49 51 #endif 50 52 51 //!> this is the macro function which prints the specialized template function 53 /** This is the macro function which prints the specialized template function. 54 * 55 * We need make it inline as it is fully specialized and hence multiple instances 56 * are not combined into one anymore. 57 */ 52 58 #define printName_specializer(z, n, NAMESPACE, TOKENSEQ, NAMESEQ ) \ 53 59 template<> inline std::string printName< NAMESPACE :: BOOST_PP_SEQ_ELEM( n, TOKENSEQ ) >() { \ -
src/Fragmentation/Summation/OrthogonalSummation_impl.hpp
r1b5a40 ra3fc46 43 43 subsetmap.reset(new SubsetMap(container)); 44 44 } else { 45 LOG(2, "DEBUG: Using given SubsetMap for " << printKeyNames::printName<T>() << ".");45 LOG(2, "DEBUG: Using given SubsetMap."); 46 46 } 47 47 /// instantiate all SubSetValue's by requesting the IndexSet from the Subsetmap -
src/Fragmentation/Summation/OrthogonalSummator.hpp
r1b5a40 ra3fc46 22 22 #include "Fragmentation/Summation/OrthogonalSummation.hpp" 23 23 #include "Fragmentation/Summation/SetValue.hpp" 24 #include "Fragmentation/Summation/Containers/MPQCDataMap.hpp"25 24 26 25 /** OrthogonalSummator is a general class for making us of OrthogonalSummation. -
src/Fragmentation/Summation/Summation_impl.hpp
r1b5a40 ra3fc46 42 42 subsetmap.reset(new SubsetMap(container)); 43 43 } else { 44 LOG(2, "DEBUG: Using given SubsetMap for " << printKeyNames::printName<T>() << ".");44 LOG(2, "DEBUG: Using given SubsetMap."); 45 45 } 46 46 /// instantiate all SubSetValue's by requesting the IndexSet from the Subsetmap -
src/Fragmentation/Summation/Summator.hpp
r1b5a40 ra3fc46 22 22 #include "Fragmentation/Summation/Summation.hpp" 23 23 #include "Fragmentation/Summation/SetValue.hpp" 24 #include "Fragmentation/Summation/Containers/MPQCDataMap.hpp"25 24 26 25 /** Summator is a general class for making us of Summation.
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