source: src/Fragmentation/Summation@ ebadb4

Action_Thermostats Add_AtomRandomPerturbation Add_FitFragmentPartialChargesAction Add_RotateAroundBondAction Add_SelectAtomByNameAction Adding_Graph_to_ChangeBondActions Adding_MD_integration_tests Adding_StructOpt_integration_tests Automaking_mpqc_open AutomationFragmentation_failures Candidate_v1.5.4 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_ChargeSampling_PBC Fix_ChronosMutex Fix_FitPartialCharges Fix_FitPotential_needs_atomicnumbers Fix_ForceAnnealing Fix_IndependentFragmentGrids Fix_ParseParticles Fix_ParseParticles_split_forward_backward_Actions 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_IndividualZeroInstances IndependentFragmentGrids_IntegrationTest IndependentFragmentGrids_Sole_NN_Calculation 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 TrajectoryDependenant_MaxOrder TremoloParser_IncreasedPrecision TremoloParser_MultipleTimesteps Ubuntu_1604_changes stable
Name Size Rev Age Author Last Change
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Containers ebadb4   8 years FrederikHeber FragmentationChargeDensity requires additional zeroinstance in cstor.
Converter 94db13   9 years FrederikHeber Again changes to obtain correct longrange forces, also forces are …
SetValues f856ec   8 years FrederikHeber Histogram uses copy instead of superposeOtherHistogram() when instance …
unittests 748fc7   10 years FrederikHeber libMolecuilder is now a shared library. - linking error …
AllLevelOrthogonalSummator.hpp 4.9 KB ​ da098d2   8 years FrederikHeber ..Summators and AllLevel..Summators pass through ZeroInstance, added …
AllLevelSummator.hpp 4.8 KB ​ da098d2   8 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 ​ 146c26d   12 years FrederikHeber Added class IndexSet and unit test. - IndexSet contains the set of …
IndexSet.hpp 1.9 KB ​ c8d13f5   11 years FrederikHeber Summed up results are now handed-over to FragmentationResultContainer …
IndexSetContainer.cpp 4.7 KB ​ a2a2f7   11 years FrederikHeber Huge warning fix. - fixed unused variables. - fixed set but unused …
IndexSetContainer.hpp 3.9 KB ​ 781408   12 years FrederikHeber FIX: Added inline comparators for IndexSet::ptr, fixed …
Makefile.am 4.0 KB ​ da098d2   8 years FrederikHeber ..Summators and AllLevel..Summators pass through ZeroInstance, added …
OrthogonalSummation.hpp 2.4 KB ​ ff7ac6   8 years FrederikHeber BREAKS: Summation and OrthogonalSummation both now allow to set a …
OrthogonalSummation_impl.hpp 2.6 KB ​ 3d444a   8 years FrederikHeber (Orthogonal)Summation's Sum() can be further simplified now.
OrthogonalSummator.hpp 7.3 KB ​ da098d2   8 years FrederikHeber ..Summators and AllLevel..Summators pass through ZeroInstance, added …
OrthogonalSumUpPerLevel.hpp 3.3 KB ​ 409a05   8 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 ​ 5aaa43   12 years FrederikHeber FIX: Fixed new copyright line since start of 2013 in CodeChecks test. …
SubsetMap.hpp 3.5 KB ​ 19c50e   12 years FrederikHeber IndexSetContainer now treats super set specially. - The super set …
Summation.hpp 2.3 KB ​ ff7ac6   8 years FrederikHeber BREAKS: Summation and OrthogonalSummation both now allow to set a …
Summation_impl.hpp 2.5 KB ​ 3d444a   8 years FrederikHeber (Orthogonal)Summation's Sum() can be further simplified now.
Summator.hpp 7.1 KB ​ da098d2   8 years FrederikHeber ..Summators and AllLevel..Summators pass through ZeroInstance, added …
SumUpPerLevel.hpp 2.9 KB ​ 409a05   8 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   8 years FrederikHeber ..Summators and AllLevel..Summators pass through ZeroInstance, added …
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