source: src/Potentials/unittests@ 64cafb2

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 Fixes 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 SaturateAtoms_singleDegree 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 6efcae   12 years FrederikHeber SerializablePotential is new type to be stored in PotentialRegistry. …
CompoundPotentialUnitTest.cpp 6.7 KB ​ e1fe7e   11 years FrederikHeber FunctionModel now uses list_of_arguments to split sequence of subsets …
CompoundPotentialUnitTest.hpp 1.3 KB ​ 154e88   11 years FrederikHeber Added CompoundPotential as container for multiple FunctionModels. - …
Makefile.am 2.3 KB ​ 748fc7   10 years FrederikHeber libMolecuilder is now a shared library. - linking error …
PartialNucleiChargeFitterUnitTest.cpp 3.7 KB ​ 58fcbe5   11 years FrederikHeber Added functor for fitting partial nuclear charges. - is simply via …
PartialNucleiChargeFitterUnitTest.hpp 902 bytes ​ 58fcbe5   11 years FrederikHeber Added functor for fitting partial nuclear charges. - is simply via …
SerializablePotentialUnitTest.cpp 3.3 KB ​ fdfc52   9 years FrederikHeber Renamed all SerializablePotential..Exceptions to …
SerializablePotentialUnitTest.hpp 874 bytes ​ 6efcae   12 years FrederikHeber SerializablePotential is new type to be stored in PotentialRegistry. …
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