Ignore:
Timestamp:
Feb 24, 2013, 12:57:26 PM (12 years ago)
Author:
Frederik Heber <heber@…>
Branches:
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
Children:
086070
Parents:
a63187
git-author:
Frederik Heber <heber@…> (10/16/12 07:44:51)
git-committer:
Frederik Heber <heber@…> (02/24/13 12:57:26)
Message:

Added unit test for PairPotential_Angle.

  • also corrected PairPotential_Angle::derivative().
File:
1 edited

Legend:

Unmodified
Added
Removed
  • src/Potentials/Specifics/unittests/Makefile.am

    ra63187 rc92c0d  
    44POTENTIALSSPECIFICSTESTSSOURCES = \
    55        ../Potentials/Specifics/unittests/ManyBodyPotential_TersoffUnitTest.cpp \
     6        ../Potentials/Specifics/unittests/PairPotential_AngleUnitTest.cpp \
    67        ../Potentials/Specifics/unittests/PairPotential_HarmonicUnitTest.cpp \
    78        ../Potentials/Specifics/unittests/PairPotential_MorseUnitTest.cpp
     
    910POTENTIALSSPECIFICSTESTSHEADERS = \
    1011        ../Potentials/Specifics/unittests/ManyBodyPotential_TersoffUnitTest.hpp \
     12        ../Potentials/Specifics/unittests/PairPotential_AngleUnitTest.hpp \
    1113        ../Potentials/Specifics/unittests/PairPotential_HarmonicUnitTest.hpp \
    1214        ../Potentials/Specifics/unittests/PairPotential_MorseUnitTest.hpp
     
    1416POTENTIALSSPECIFICSTESTS = \
    1517        ManyBodyPotential_TersoffUnitTest \
     18        PairPotential_AngleUnitTest \
    1619        PairPotential_HarmonicUnitTest \
    1720        PairPotential_MorseUnitTest
     
    3336ManyBodyPotential_TersoffUnitTest_LDADD = ${POTENTIALSSPECIFICSLIBS}
    3437
     38PairPotential_AngleUnitTest_SOURCES = $(top_srcdir)/src/unittests/UnitTestMain.cpp \
     39        ../Potentials/Specifics/unittests/PairPotential_AngleUnitTest.cpp \
     40        ../Potentials/Specifics/unittests/PairPotential_AngleUnitTest.hpp
     41PairPotential_AngleUnitTest_LDADD = ${POTENTIALSSPECIFICSLIBS}
     42
    3543PairPotential_HarmonicUnitTest_SOURCES = $(top_srcdir)/src/unittests/UnitTestMain.cpp \
    3644        ../Potentials/Specifics/unittests/PairPotential_HarmonicUnitTest.cpp \
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