source: src/Fragmentation/Exporters/unittests@ 0983e6

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 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 SaturateAtoms_findBestMatching 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
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stubs a1d1dd   10 years FrederikHeber Added SaturationDistanceMaximizer to determine best alphas for …
HydrogenPoolUnitTest.cpp 4.8 KB ​ 5aaa43   12 years FrederikHeber FIX: Fixed new copyright line since start of 2013 in CodeChecks test. …
HydrogenPoolUnitTest.hpp 826 bytes ​ c3df23   12 years FrederikHeber Added HydrogenPool for controlling a set of saturation hydrogens.
Makefile.am 2.6 KB ​ b67d89   8 years FrederikHeber Using the idea of three points giving a triangle to find rotation …
SaturatedFragmentUnitTest.cpp 2.4 KB ​ 98a293b   10 years FrederikHeber SaturatedFragment can deal with a global saturation position map. - …
SaturatedFragmentUnitTest.hpp 970 bytes ​ 7d5fcd   12 years FrederikHeber Added SaturatedFragment as a wrapper to KeySet with saturation hydrogens.
SaturationDistanceMaximizerUnitTest.cpp 4.0 KB ​ a1d1dd   10 years FrederikHeber Added SaturationDistanceMaximizer to determine best alphas for …
SaturationDistanceMaximizerUnitTest.hpp 931 bytes ​ a1d1dd   10 years FrederikHeber Added SaturationDistanceMaximizer to determine best alphas for …
SphericalPointDistributionUnitTest.cpp 53.3 KB ​ 653cea   8 years FrederikHeber SphericalPointDistribution is now working with bond degree weights. - …
SphericalPointDistributionUnitTest.hpp 1.7 KB ​ 653cea   8 years FrederikHeber SphericalPointDistribution is now working with bond degree weights. - …
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