source: src/Potentials/Specifics/unittests@ 35d171

Action_Thermostats Add_AtomRandomPerturbation Add_FitFragmentPartialChargesAction Add_RotateAroundBondAction Add_SelectAtomByNameAction Added_ParseSaveFragmentResults 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 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_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 FragmentMolecule_checks_bonddegrees GeometryObjects Gui_Fixes 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 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
../
ConstantPotentialUnitTest.cpp 2.9 KB ​ e1fe7e   11 years FrederikHeber FunctionModel now uses list_of_arguments to split sequence of subsets …
ConstantPotentialUnitTest.hpp 855 bytes ​ 8203ce8   11 years FrederikHeber Added ConstantPotential to fit a non-zero offset in potential energy. …
FourBodyPotential_ImproperUnitTest.cpp 5.4 KB ​ e1fe7e   11 years FrederikHeber FunctionModel now uses list_of_arguments to split sequence of subsets …
FourBodyPotential_ImproperUnitTest.hpp 1.1 KB ​ 791a12   11 years FrederikHeber Added improper potential based on torsion potential with flipped …
FourBodyPotential_TorsionUnitTest.cpp 5.3 KB ​ e1fe7e   11 years FrederikHeber FunctionModel now uses list_of_arguments to split sequence of subsets …
FourBodyPotential_TorsionUnitTest.hpp 1.1 KB ​ e2037e   11 years FrederikHeber Added FourBodyPotential_Torsion. - also added regression test to …
Makefile.am 4.3 KB ​ 748fc7   10 years FrederikHeber libMolecuilder is now a shared library. - linking error …
ManyBodyPotential_TersoffUnitTest.cpp 13.2 KB ​ e1fe7e   11 years FrederikHeber FunctionModel now uses list_of_arguments to split sequence of subsets …
ManyBodyPotential_TersoffUnitTest.hpp 1.3 KB ​ eb1efe   12 years FrederikHeber Extended LevMartester to fit a Tersoff potential to the first order …
PairPotential_HarmonicUnitTest.cpp 4.2 KB ​ e1fe7e   11 years FrederikHeber FunctionModel now uses list_of_arguments to split sequence of subsets …
PairPotential_HarmonicUnitTest.hpp 999 bytes ​ 3c1465   12 years FrederikHeber Added PairPotential_HarmonicUnitTest. - so far, we test the …
PairPotential_LennardJonesUnitTest.cpp 4.7 KB ​ e1fe7e   11 years FrederikHeber FunctionModel now uses list_of_arguments to split sequence of subsets …
PairPotential_LennardJonesUnitTest.hpp 1.0 KB ​ 1413f4   11 years FrederikHeber Added LennardJones pair potential. - this is for later fitting …
PairPotential_MorseUnitTest.cpp 4.8 KB ​ e1fe7e   11 years FrederikHeber FunctionModel now uses list_of_arguments to split sequence of subsets …
PairPotential_MorseUnitTest.hpp 1000 bytes ​ 76cbd0   12 years FrederikHeber Added PairPotential_MorseUnitTest. - so far, added simple test on …
ThreeBodyPotential_AngleUnitTest.cpp 4.8 KB ​ e1fe7e   11 years FrederikHeber FunctionModel now uses list_of_arguments to split sequence of subsets …
ThreeBodyPotential_AngleUnitTest.hpp 1.1 KB ​ 484e2a   11 years FrederikHeber Renamed PairPotential_Angle -> ThreeBodyPotential_Angle and also UnitTest.
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