source: src/Graph@ 70f2a1

Action_Thermostats Adding_Graph_to_ChangeBondActions Adding_MD_integration_tests Adding_StructOpt_integration_tests AutomationFragmentation_failures Candidate_v1.6.1 ChemicalSpaceEvaluator Enhanced_StructuralOptimization Enhanced_StructuralOptimization_continued Example_ManyWaysToTranslateAtom Exclude_Hydrogens_annealWithBondGraph Fix_Verbose_Codepatterns ForceAnnealing_with_BondGraph ForceAnnealing_with_BondGraph_continued ForceAnnealing_with_BondGraph_continued_betteresults ForceAnnealing_with_BondGraph_contraction-expansion Gui_displays_atomic_force_velocity JobMarket_RobustOnKillsSegFaults JobMarket_StableWorkerPool PythonUI_with_named_parameters Recreated_GuiChecks StoppableMakroAction TremoloParser_IncreasedPrecision TremoloParser_MultipleTimesteps
Name Size Rev Age Author Last Change
../
unittests cb98f1   8 years FrederikHeber FIX: One Definition Rule violation by mpqc. - mpqc.cc implements …
AdjacencyList.cpp 9.3 KB ​ 9eb71b3   8 years frederik.heber Commented out MemDebug include and Memory::ignore. - MemDebug clashes …
AdjacencyList.hpp 2.5 KB ​ 3aa8a5   12 years FrederikHeber REFACTOR: AdjacencyList now just contains a single internal map. - …
BondGraph.cpp 18.2 KB ​ 5fea7d   8 years frederik.heber FIX: boost::tuple prefix was needed for tie in boost::graph usage.
BondGraph.hpp 20.1 KB ​ e3e52a   9 years FrederikHeber FIX: BondGraph::Createdjacency compare atoms on position in memory. - …
BuildInducedSubgraph.cpp 3.2 KB ​ 9eb71b3   8 years frederik.heber Commented out MemDebug include and Memory::ignore. - MemDebug clashes …
BuildInducedSubgraph.hpp 1.2 KB ​ f01769   9 years FrederikHeber Replaced World::getAtom() wherever possible by const version. - some …
ConnectedSubgraph.cpp 2.2 KB ​ 9eb71b3   8 years frederik.heber Commented out MemDebug include and Memory::ignore. - MemDebug clashes …
ConnectedSubgraph.hpp 714 bytes ​ 09ac12   14 years FrederikHeber Added new class ConnectedSubgraph. - inherits list<atom *>. - will be …
CyclicStructureAnalysis.cpp 20.0 KB ​ 9eb71b3   8 years frederik.heber Commented out MemDebug include and Memory::ignore. - MemDebug clashes …
CyclicStructureAnalysis.hpp 2.1 KB ​ 83cc3e   10 years FrederikHeber FIX: CyclicStructureAnalysis did not robustly detect all cycles. - it …
DepthFirstSearchAnalysis.cpp 17.5 KB ​ 9eb71b3   8 years frederik.heber Commented out MemDebug include and Memory::ignore. - MemDebug clashes …
DepthFirstSearchAnalysis.hpp 5.0 KB ​ 88c8ec   12 years FrederikHeber REFACTOR: Replaced all "bond *" appearances by bond::ptr. - this is …
ListOfLocalAtoms.hpp 509 bytes ​ 6d551c   12 years FrederikHeber ListOfLocalAtoms is now a map, inherited into a distinct class. - …
Makefile.am 2.9 KB ​ 06804b   10 years FrederikHeber Removed molecule::AddHydrogenReplacement() and BreadthFirstSearchAdd. …
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