source: src/Fragmentation/Summation@ 9eb71b3

Action_Thermostats Add_AtomRandomPerturbation Add_RotateAroundBondAction Add_SelectAtomByNameAction Adding_Graph_to_ChangeBondActions Adding_MD_integration_tests Adding_StructOpt_integration_tests AutomationFragmentation_failures Candidate_v1.6.1 ChangeBugEmailaddress ChangingTestPorts ChemicalSpaceEvaluator Disabling_MemDebug Docu_Python_wait EmpiricalPotential_contain_HomologyGraph_documentation Enhance_userguide Enhanced_StructuralOptimization Enhanced_StructuralOptimization_continued Example_ManyWaysToTranslateAtom Exclude_Hydrogens_annealWithBondGraph 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 PythonUI_with_named_parameters QtGui_reactivate_TimeChanged_changes Recreated_GuiChecks RotateToPrincipalAxisSystem_UndoRedo StoppableMakroAction TremoloParser_IncreasedPrecision TremoloParser_MultipleTimesteps Ubuntu_1604_changes
Name Size Rev Age Author Last Change
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Containers 9eb71b3   8 years frederik.heber Commented out MemDebug include and Memory::ignore. - MemDebug clashes …
Converter 6829d2   8 years FrederikHeber MPQCData additionally stores the atomic number per nuclei. - in case …
SetValues 9eb71b3   8 years frederik.heber Commented out MemDebug include and Memory::ignore. - MemDebug clashes …
unittests 748fc7   11 years FrederikHeber libMolecuilder is now a shared library. - linking error …
AllLevelOrthogonalSummator.hpp 4.9 KB da098d2   9 years FrederikHeber ..Summators and AllLevel..Summators pass through ZeroInstance, added …
AllLevelSummator.hpp 4.8 KB da098d2   9 years FrederikHeber ..Summators and AllLevel..Summators pass through ZeroInstance, added …
HeaderPrinter.hpp 1.1 KB 47cee7   11 years FrederikHeber Writing out energy file with value and contribution per index set - …
IndexSet.cpp 3.7 KB 9eb71b3   8 years frederik.heber Commented out MemDebug include and Memory::ignore. - MemDebug clashes …
IndexSet.hpp 1.9 KB c8d13f5   11 years FrederikHeber Summed up results are now handed-over to FragmentationResultContainer
IndexSetContainer.cpp 4.7 KB 9eb71b3   8 years frederik.heber Commented out MemDebug include and Memory::ignore. - MemDebug clashes …
IndexSetContainer.hpp 3.9 KB 781408   12 years FrederikHeber FIX: Added inline comparators for IndexSet::ptr, fixed …
Makefile.am 4.0 KB 0ee9cb3   8 years FrederikHeber FIX: Removed multiple instances of libmolecuilder_config.h in …
OrthogonalSummation.hpp 2.4 KB ff7ac6   9 years FrederikHeber BREAKS: Summation and OrthogonalSummation both now allow to set a …
OrthogonalSummation_impl.hpp 2.6 KB 3d444a   9 years FrederikHeber (Orthogonal)Summation's Sum() can be further simplified now.
OrthogonalSummator.hpp 7.3 KB da098d2   9 years FrederikHeber ..Summators and AllLevel..Summators pass through ZeroInstance, added …
OrthogonalSumUpPerLevel.hpp 3.3 KB 409a05   9 years FrederikHeber ..SumUpPerLevel are now functors that allow to set the zero instance …
printKeyNames.hpp 732 bytes 1f66c7   12 years FrederikHeber Renamed and extracted namespace FusionKeyNames -> printKeyNames. - …
SetValue.hpp 4.4 KB 58952a   11 years FrederikHeber SetValue treats ZeroInstance as value special. - ZeroInstance in …
SetValueMap.hpp 3.5 KB 07266b   12 years FrederikHeber Added SetValueMap::getConstValue() for getting const reference to SetValue.
SortedVector.hpp 4.3 KB 19c50e   12 years FrederikHeber IndexSetContainer now treats super set specially. - The super set …
SubsetMap.cpp 7.6 KB 9eb71b3   8 years frederik.heber Commented out MemDebug include and Memory::ignore. - MemDebug clashes …
SubsetMap.hpp 3.5 KB 19c50e   12 years FrederikHeber IndexSetContainer now treats super set specially. - The super set …
Summation.hpp 2.3 KB ff7ac6   9 years FrederikHeber BREAKS: Summation and OrthogonalSummation both now allow to set a …
Summation_impl.hpp 2.5 KB 3d444a   9 years FrederikHeber (Orthogonal)Summation's Sum() can be further simplified now.
Summator.hpp 7.1 KB da098d2   9 years FrederikHeber ..Summators and AllLevel..Summators pass through ZeroInstance, added …
SumUpPerLevel.hpp 2.9 KB 409a05   9 years FrederikHeber ..SumUpPerLevel are now functors that allow to set the zero instance …
ValuePrinter.hpp 1.3 KB 47cee7   11 years FrederikHeber Writing out energy file with value and contribution per index set - …
writeIndexedTable.hpp 2.8 KB c8d13f5   11 years FrederikHeber Summed up results are now handed-over to FragmentationResultContainer
writeTable.hpp 1.7 KB 47cee7   11 years FrederikHeber Writing out energy file with value and contribution per index set - …
ZeroInstance.hpp 854 bytes 58952a   11 years FrederikHeber SetValue treats ZeroInstance as value special. - ZeroInstance in …
ZeroInstanceInitializer.hpp 1.4 KB da098d2   9 years FrederikHeber ..Summators and AllLevel..Summators pass through ZeroInstance, added …
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