source: src/Graph@ 48d20d

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
../
unittests 3aa8a5   12 years FrederikHeber REFACTOR: AdjacencyList now just contains a single internal map. - …
AdjacencyList.cpp 9.1 KB ​ b6b5b8   12 years FrederikHeber FIX: Removed Assert of parsable file in AdjacencyList cstor.
AdjacencyList.hpp 2.5 KB ​ 3aa8a5   12 years FrederikHeber REFACTOR: AdjacencyList now just contains a single internal map. - …
BondGraph.cpp 17.9 KB ​ 4f04ab8   12 years FrederikHeber Using boost::graph to obtain maximum matching for bond degree …
BondGraph.hpp 19.9 KB ​ 4f04ab8   12 years FrederikHeber Using boost::graph to obtain maximum matching for bond degree …
BreadthFirstSearchAdd.cpp 7.8 KB ​ 7d82a5   12 years FrederikHeber Changed bond::ptr into boost::shared_ptr. Changes: - refactored some …
BreadthFirstSearchAdd.hpp 2.3 KB ​ 88c8ec   12 years FrederikHeber REFACTOR: Replaced all "bond *" appearances by bond::ptr. - this is …
BuildInducedSubgraph.cpp 3.1 KB ​ 1f693d   12 years FrederikHeber Wrapped Bond::BondDegree in getter. - This is preparatory for a new …
BuildInducedSubgraph.hpp 1.2 KB ​ 2d4334   14 years FrederikHeber Moved BuildInducedSubgraph from molecule into functor in Graph/. - …
ConnectedSubgraph.cpp 2.4 KB ​ 94d5ac6   12 years FrederikHeber FIX: As we use GSL internally, we are as of now required to use GPL v2 …
ConnectedSubgraph.hpp 714 bytes ​ 09ac12   14 years FrederikHeber Added new class ConnectedSubgraph. - inherits list<atom *>. - will be …
CyclicStructureAnalysis.cpp 16.3 KB ​ 9291d04   12 years FrederikHeber Split saturation with hydrogen of treatment of hydrogen. - now …
CyclicStructureAnalysis.hpp 1.7 KB ​ 9291d04   12 years FrederikHeber Split saturation with hydrogen of treatment of hydrogen. - now …
DepthFirstSearchAnalysis.cpp 17.6 KB ​ 31021ab   12 years FrederikHeber Optimized Bondgraph detection. - VectorSet::minDistance() now …
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 3.0 KB ​ 214240   12 years FrederikHeber FIX: Most of the includedirs were wrongly set. - each just needs to …
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