source: src/Fragmentation/Summation@ a2295a

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
Name Size Rev Age Author Last Change
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unittests ff9963   12 years FrederikHeber (Orthogonal)Summation now goes level-wise. - print(Orthogonal)Sum go …
AllLevelOrthogonalSummator.hpp 3.2 KB ​ 3dd32f   12 years FrederikHeber MatrixNrLookup ist now used const throughout templated functors. - …
AllLevelSummator.hpp 3.1 KB ​ 3dd32f   12 years FrederikHeber MatrixNrLookup ist now used const throughout templated functors. - …
HeaderPrinter.hpp 1.1 KB ​ 20b3df   12 years FrederikHeber Added HeaderPrinter with templated operator() for mpl::for_each to …
IndexSet.cpp 3.7 KB ​ 146c26d   12 years FrederikHeber Added class IndexSet and unit test. - IndexSet contains the set of …
IndexSet.hpp 1.0 KB ​ 146c26d   12 years FrederikHeber Added class IndexSet and unit test. - IndexSet contains the set of …
IndexSetContainer.cpp 3.5 KB ​ 8a0e78   12 years FrederikHeber Added IndexSetContainer::countSetsTillLevel() to count sets up to …
IndexSetContainer.hpp 2.9 KB ​ 8a0e78   12 years FrederikHeber Added IndexSetContainer::countSetsTillLevel() to count sets up to …
Makefile.am 4.0 KB ​ 0398bd   12 years FrederikHeber Moved ConvertDataTo and ..SumUpPerLevel into distinct header files.
OrthogonalFullSummator.hpp 4.9 KB ​ a2295a   12 years FrederikHeber We now create one full potential VMGJob of each summed up grid per …
OrthogonalSummation.hpp 1.7 KB ​ 3102010   12 years FrederikHeber Getter (Orthogonal)Summation::getSetVales() added. - this is actually …
OrthogonalSummation_impl.hpp 2.6 KB ​ beb16e   12 years FrederikHeber Added template function ZeroInstance to have zero value in …
OrthogonalSummator.hpp 6.0 KB ​ 3dd32f   12 years FrederikHeber MatrixNrLookup ist now used const throughout templated functors. - …
OrthogonalSumUpPerLevel.hpp 1.4 KB ​ 3dd32f   12 years FrederikHeber MatrixNrLookup ist now used const throughout templated functors. - …
printKeyNames.hpp 732 bytes ​ 1f66c7   12 years FrederikHeber Renamed and extracted namespace FusionKeyNames -> printKeyNames. - …
SetValue.hpp 3.9 KB ​ c40e15d   12 years FrederikHeber Added Summation, Summator, and printSum for non-orthogonal Summation. …
SetValueMap.hpp 2.9 KB ​ 0a387e   12 years FrederikHeber SetValueMap's internal Lookup now is const iterable. - added unit …
SortedVector.hpp 4.1 KB ​ 063fab   12 years FrederikHeber Added SortedVector and use in IndexSetContainer. - the SortedVector …
SubsetMap.cpp 8.0 KB ​ d199cc   12 years FrederikHeber Added new function SubsetMap::getMaximumSetLevel(). - just gives the …
SubsetMap.hpp 3.8 KB ​ d199cc   12 years FrederikHeber Added new function SubsetMap::getMaximumSetLevel(). - just gives the …
Summation.hpp 1.7 KB ​ 3102010   12 years FrederikHeber Getter (Orthogonal)Summation::getSetVales() added. - this is actually …
Summation_impl.hpp 2.5 KB ​ ff9963   12 years FrederikHeber (Orthogonal)Summation now goes level-wise. - print(Orthogonal)Sum go …
Summator.hpp 5.8 KB ​ 3dd32f   12 years FrederikHeber MatrixNrLookup ist now used const throughout templated functors. - …
SumUpPerLevel.hpp 1.3 KB ​ 3dd32f   12 years FrederikHeber MatrixNrLookup ist now used const throughout templated functors. - …
ValuePrinter.hpp 1.3 KB ​ 27afbf   12 years FrederikHeber FragmentationAutomationAction now prints table of results for energy, …
writeTable.hpp 1.5 KB ​ 27afbf   12 years FrederikHeber FragmentationAutomationAction now prints table of results for energy, …
ZeroInstance.hpp 587 bytes ​ beb16e   12 years FrederikHeber Added template function ZeroInstance to have zero value in …
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