source: src/Fragmentation/Summation@ 160ad7

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 Candidate_v1.7.0 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 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
../
unittests 748fc7   11 years FrederikHeber libMolecuilder is now a shared library. - linking error …
SetValues 57fda0   9 years FrederikHeber SamplingGrid::operator*=(), ::superposeOtherGrids() and ::integral() …
Converter 94db13   10 years FrederikHeber Again changes to obtain correct longrange forces, also forces are …
Containers f83e26   9 years FrederikHeber FIX: FragmentationResultContainer did not clear cycles on clear().
ZeroInstance.hpp 854 bytes ​ 58952a   12 years FrederikHeber SetValue treats ZeroInstance as value special. - ZeroInstance in …
writeTable.hpp 1.7 KB ​ 47cee7   12 years FrederikHeber Writing out energy file with value and contribution per index set - …
writeIndexedTable.hpp 2.8 KB ​ c8d13f5   12 years FrederikHeber Summed up results are now handed-over to FragmentationResultContainer …
ValuePrinter.hpp 1.3 KB ​ 47cee7   12 years FrederikHeber Writing out energy file with value and contribution per index set - …
SumUpPerLevel.hpp 1.5 KB ​ fbf143   13 years FrederikHeber Placed Containers, Converter, and SetValues as subfolders into …
Summator.hpp 6.8 KB ​ 675cd6   12 years FrederikHeber (Orthogonal)Summator are notified via out-of-range matrixnr to omit …
Summation_impl.hpp 2.5 KB ​ 675cd6   12 years FrederikHeber (Orthogonal)Summator are notified via out-of-range matrixnr to omit …
Summation.hpp 1.7 KB ​ 3102010   13 years FrederikHeber Getter (Orthogonal)Summation::getSetVales() added. - this is actually …
SubsetMap.hpp 3.5 KB ​ 19c50e   13 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. …
SortedVector.hpp 4.3 KB ​ 19c50e   13 years FrederikHeber IndexSetContainer now treats super set specially. - The super set …
SetValueMap.hpp 3.5 KB ​ 07266b   13 years FrederikHeber Added SetValueMap::getConstValue() for getting const reference to SetValue.
SetValue.hpp 4.4 KB ​ 58952a   12 years FrederikHeber SetValue treats ZeroInstance as value special. - ZeroInstance in …
printKeyNames.hpp 732 bytes ​ 1f66c7   13 years FrederikHeber Renamed and extracted namespace FusionKeyNames -> printKeyNames. - …
OrthogonalSumUpPerLevel.hpp 1.6 KB ​ fbf143   13 years FrederikHeber Placed Containers, Converter, and SetValues as subfolders into …
OrthogonalSummator.hpp 7.0 KB ​ 675cd6   12 years FrederikHeber (Orthogonal)Summator are notified via out-of-range matrixnr to omit …
OrthogonalSummation_impl.hpp 2.7 KB ​ a3fc46   13 years FrederikHeber FIX: Fixed printKeyName inclusions a bit. - they are now inline functions.
OrthogonalSummation.hpp 1.7 KB ​ 3102010   13 years FrederikHeber Getter (Orthogonal)Summation::getSetVales() added. - this is actually …
Makefile.am 3.9 KB ​ c20839   10 years FrederikHeber FIX: Shared libraries's Makefile.am rules are now consistent. - …
IndexSetContainer.hpp 3.9 KB ​ 781408   13 years FrederikHeber FIX: Added inline comparators for IndexSet::ptr, fixed …
IndexSetContainer.cpp 4.7 KB ​ a2a2f7   12 years FrederikHeber Huge warning fix. - fixed unused variables. - fixed set but unused …
IndexSet.hpp 1.9 KB ​ c8d13f5   12 years FrederikHeber Summed up results are now handed-over to FragmentationResultContainer …
IndexSet.cpp 3.7 KB ​ 146c26d   13 years FrederikHeber Added class IndexSet and unit test. - IndexSet contains the set of …
HeaderPrinter.hpp 1.1 KB ​ 47cee7   12 years FrederikHeber Writing out energy file with value and contribution per index set - …
AllLevelSummator.hpp 4.2 KB ​ 675cd6   12 years FrederikHeber (Orthogonal)Summator are notified via out-of-range matrixnr to omit …
AllLevelOrthogonalSummator.hpp 4.3 KB ​ 675cd6   12 years FrederikHeber (Orthogonal)Summator are notified via out-of-range matrixnr to omit …
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