source: src/Fragmentation/Exporters@ 2ae400

Action_Thermostats Add_AtomRandomPerturbation Add_RotateAroundBondAction Add_SelectAtomByNameAction Adding_Graph_to_ChangeBondActions Adding_MD_integration_tests Adding_StructOpt_integration_tests Automaking_mpqc_open AutomationFragmentation_failures 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_ChronosMutex 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_IntegrationTest 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 TremoloParser_IncreasedPrecision TremoloParser_MultipleTimesteps Ubuntu_1604_changes stable
Name Size Rev Age Author Last Change
../
unittests 34709f   8 years FrederikHeber DISTFIX: SphericalPointDistribution_assistant.hpp missing in Makefile.am.
ExportGraph.cpp 9.7 KB ​ 2affd1   9 years FrederikHeber Removed molecules_deprecated from World and unnecessary includes of …
ExportGraph.hpp 3.4 KB ​ c24071   9 years FrederikHeber ExportGraph::operator() now returns bool. - FragmentationAction heeds …
ExportGraph_ToAtomFragments.cpp 3.4 KB ​ c24071   9 years FrederikHeber ExportGraph::operator() now returns bool. - FragmentationAction heeds …
ExportGraph_ToAtomFragments.hpp 1.4 KB ​ c24071   9 years FrederikHeber ExportGraph::operator() now returns bool. - FragmentationAction heeds …
ExportGraph_ToFiles.cpp 8.3 KB ​ c24071   9 years FrederikHeber ExportGraph::operator() now returns bool. - FragmentationAction heeds …
ExportGraph_ToFiles.hpp 2.3 KB ​ c24071   9 years FrederikHeber ExportGraph::operator() now returns bool. - FragmentationAction heeds …
ExportGraph_ToJobs.cpp 13.1 KB ​ 9445081   8 years FrederikHeber FragmentJobQueue additionally stores the bond graph as an edge set per …
ExportGraph_ToJobs.hpp 4.8 KB ​ 160ad7   9 years FrederikHeber ExportGraph_ToJobs::operator() now calculates a specific level for …
HydrogenPool.cpp 4.4 KB ​ 910a5d   10 years FrederikHeber atom::father is now accessible through getter and setter only. - this …
HydrogenPool.hpp 2.4 KB ​ 11f0fa   12 years FrederikHeber FIX: Newly created atoms must have trajectories reaching out till …
SaturatedBond.cpp 4.4 KB ​ 2312fc6   9 years FrederikHeber SaturateBond now uses default angle and Bond length with warning when …
SaturatedBond.hpp 2.2 KB ​ bac32f   11 years FrederikHeber Added SaturatedBond as container for a "dangling bond" and its …
SaturatedFragment.cpp 29.6 KB ​ 9445081   8 years FrederikHeber FragmentJobQueue additionally stores the bond graph as an edge set per …
SaturatedFragment.hpp 8.7 KB ​ 9445081   8 years FrederikHeber FragmentJobQueue additionally stores the bond graph as an edge set per …
SaturationDistanceMaximizer.cpp 10.1 KB ​ 185e6f   11 years FrederikHeber MEMFIX: SaturationDistanceMaximizer::operator() did not delete Advocate.
SaturationDistanceMaximizer.hpp 3.7 KB ​ 2a6d8c   11 years FrederikHeber DOCUFIX: Doyxygen formula was broken in SaturationDistanceMaximizer.
SphericalPointDistribution.cpp 39.7 KB ​ 3dadd5   9 years FrederikHeber Revert "Removing SphericalPointDistribution::getSimplePolygon() to …
SphericalPointDistribution.hpp 8.9 KB ​ 3dadd5   9 years FrederikHeber Revert "Removing SphericalPointDistribution::getSimplePolygon() to …
SphericalPointDistribution_getConnections.cpp 13.4 KB ​ 6393ff   9 years FrederikHeber Added getConnections() to SphericalPointDistribution. - we use …
SphericalPointDistribution_getPoints.cpp 12.8 KB ​ 0c42f2   9 years FrederikHeber Extended SaturateAction to be able to deal with bonded atoms. - …
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