source: src/Potentials/Specifics/unittests@ c76b8b

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
../
ThreeBodyPotential_AngleUnitTest.hpp 1.1 KB ​ 484e2a   12 years FrederikHeber Renamed PairPotential_Angle -> ThreeBodyPotential_Angle and also UnitTest.
ThreeBodyPotential_AngleUnitTest.cpp 4.6 KB ​ 484e2a   12 years FrederikHeber Renamed PairPotential_Angle -> ThreeBodyPotential_Angle and also UnitTest.
PairPotential_MorseUnitTest.hpp 1000 bytes ​ 76cbd0   12 years FrederikHeber Added PairPotential_MorseUnitTest. - so far, added simple test on …
PairPotential_MorseUnitTest.cpp 4.6 KB ​ acc9b1   12 years FrederikHeber FIX: Added new copyright lines to files in src/Potentials, too.
PairPotential_LennardJonesUnitTest.hpp 1.0 KB ​ 1413f4   12 years FrederikHeber Added LennardJones pair potential. - this is for later fitting …
PairPotential_LennardJonesUnitTest.cpp 4.5 KB ​ 1413f4   12 years FrederikHeber Added LennardJones pair potential. - this is for later fitting …
PairPotential_HarmonicUnitTest.hpp 999 bytes ​ 3c1465   12 years FrederikHeber Added PairPotential_HarmonicUnitTest. - so far, we test the …
PairPotential_HarmonicUnitTest.cpp 4.0 KB ​ acc9b1   12 years FrederikHeber FIX: Added new copyright lines to files in src/Potentials, too.
ManyBodyPotential_TersoffUnitTest.hpp 1.3 KB ​ eb1efe   12 years FrederikHeber Extended LevMartester to fit a Tersoff potential to the first order …
ManyBodyPotential_TersoffUnitTest.cpp 13.0 KB ​ 775dd1a   12 years FrederikHeber Triplefunction for Saturation and Tersoff potential have to be given …
Makefile.am 4.5 KB ​ 791a12   12 years FrederikHeber Added improper potential based on torsion potential with flipped …
FourBodyPotential_TorsionUnitTest.hpp 1.1 KB ​ e2037e   12 years FrederikHeber Added FourBodyPotential_Torsion. - also added regression test to …
FourBodyPotential_TorsionUnitTest.cpp 5.2 KB ​ e2037e   12 years FrederikHeber Added FourBodyPotential_Torsion. - also added regression test to …
FourBodyPotential_ImproperUnitTest.hpp 1.1 KB ​ 791a12   12 years FrederikHeber Added improper potential based on torsion potential with flipped …
FourBodyPotential_ImproperUnitTest.cpp 5.2 KB ​ 791a12   12 years FrederikHeber Added improper potential based on torsion potential with flipped …
ConstantPotentialUnitTest.hpp 855 bytes ​ 8203ce8   12 years FrederikHeber Added ConstantPotential to fit a non-zero offset in potential energy. …
ConstantPotentialUnitTest.cpp 2.9 KB ​ 8203ce8   12 years FrederikHeber Added ConstantPotential to fit a non-zero offset in potential energy. …
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