source: src/Potentials/Specifics/unittests/Makefile.am@ 990a62

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
Last change on this file since 990a62 was ffc368, checked in by Frederik Heber <heber@…>, 12 years ago

ManyBodyPotential_Tersoff is now correctly implemented.

  • changed implementation to match with [Tersoff, '89] with incorporates configurations consisting of different elements and which is also the one implemented in tremolo (for whose ptential parameters we aim for).
  • we have unit test of operator() that checks against a set of values obtained from a brief run with tremolo of a configuration consisting of 5 carbon atoms: the results are the same by each function.
  • Property mode set to 100644
File size: 2.0 KB
Line 
1# PLEASE adhere to the alphabetical ordering in this Makefile!
2# Also indentation by a single tab
3
4POTENTIALSSPECIFICSTESTSSOURCES = \
5 ../Potentials/Specifics/unittests/ManyBodyPotential_TersoffUnitTest.cpp \
6 ../Potentials/Specifics/unittests/PairPotential_HarmonicUnitTest.cpp \
7 ../Potentials/Specifics/unittests/PairPotential_MorseUnitTest.cpp
8
9POTENTIALSSPECIFICSTESTSHEADERS = \
10 ../Potentials/Specifics/unittests/ManyBodyPotential_TersoffUnitTest.hpp \
11 ../Potentials/Specifics/unittests/PairPotential_HarmonicUnitTest.hpp \
12 ../Potentials/Specifics/unittests/PairPotential_MorseUnitTest.hpp
13
14POTENTIALSSPECIFICSTESTS = \
15 ManyBodyPotential_TersoffUnitTest \
16 PairPotential_HarmonicUnitTest \
17 PairPotential_MorseUnitTest
18
19TESTS += $(POTENTIALSSPECIFICSTESTS)
20check_PROGRAMS += $(POTENTIALSSPECIFICSTESTS)
21noinst_PROGRAMS += $(POTENTIALSSPECIFICSTESTS)
22
23POTENTIALSSPECIFICSLIBS = \
24 ../libMolecuilderPotentials.la \
25 $(top_builddir)/LinearAlgebra/src/LinearAlgebra/libLinearAlgebra.la \
26 ${CodePatterns_LIBS} \
27 $(BOOST_SERIALIZATION_LDFLAGS) $(BOOST_SERIALIZATION_LIBS) \
28 $(BOOST_LIB)
29
30ManyBodyPotential_TersoffUnitTest_SOURCES = $(top_srcdir)/src/unittests/UnitTestMain.cpp \
31 ../Potentials/Specifics/unittests/ManyBodyPotential_TersoffUnitTest.cpp \
32 ../Potentials/Specifics/unittests/ManyBodyPotential_TersoffUnitTest.hpp
33ManyBodyPotential_TersoffUnitTest_LDADD = ${POTENTIALSSPECIFICSLIBS}
34
35PairPotential_HarmonicUnitTest_SOURCES = $(top_srcdir)/src/unittests/UnitTestMain.cpp \
36 ../Potentials/Specifics/unittests/PairPotential_HarmonicUnitTest.cpp \
37 ../Potentials/Specifics/unittests/PairPotential_HarmonicUnitTest.hpp
38PairPotential_HarmonicUnitTest_LDADD = ${POTENTIALSSPECIFICSLIBS}
39
40PairPotential_MorseUnitTest_SOURCES = $(top_srcdir)/src/unittests/UnitTestMain.cpp \
41 ../Potentials/Specifics/unittests/PairPotential_MorseUnitTest.cpp \
42 ../Potentials/Specifics/unittests/PairPotential_MorseUnitTest.hpp
43PairPotential_MorseUnitTest_LDADD = ${POTENTIALSSPECIFICSLIBS}
44
45
46#AUTOMAKE_OPTIONS = parallel-tests
Note: See TracBrowser for help on using the repository browser.