Changeset a91710 for src/Potentials


Ignore:
Timestamp:
Aug 21, 2014, 6:59:33 AM (11 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, Candidate_v1.7.0, 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:
29b35e
Parents:
4c9101 (diff), 0c72e2 (diff)
Note: this is a merge changeset, the changes displayed below correspond to the merge itself.
Use the (diff) links above to see all the changes relative to each parent.
Message:

Merge branch 'Fixes_Ubuntu14_04' into stable

Location:
src/Potentials
Files:
2 edited

Legend:

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

    r4c9101 ra91710  
    3737
    3838POTENTIALSSPECIFICSLIBS = \
     39        libUnitTest.la \
     40        ../libMolecuilder.la \
    3941        ../libMolecuilderPotentials.la \
    4042        ../libMolecuilderFragmentation.la \
     
    4850        $(BOOST_LIB)
    4951
    50 ConstantPotentialUnitTest_SOURCES = $(top_srcdir)/src/unittests/UnitTestMain.cpp \
     52ConstantPotentialUnitTest_SOURCES = \
    5153        ../Potentials/Specifics/unittests/ConstantPotentialUnitTest.cpp \
    5254        ../Potentials/Specifics/unittests/ConstantPotentialUnitTest.hpp
    5355ConstantPotentialUnitTest_LDADD = ${POTENTIALSSPECIFICSLIBS}
    5456
    55 FourBodyPotential_ImproperUnitTest_SOURCES = $(top_srcdir)/src/unittests/UnitTestMain.cpp \
     57FourBodyPotential_ImproperUnitTest_SOURCES = \
    5658        ../Potentials/Specifics/unittests/FourBodyPotential_ImproperUnitTest.cpp \
    5759        ../Potentials/Specifics/unittests/FourBodyPotential_ImproperUnitTest.hpp
    5860FourBodyPotential_ImproperUnitTest_LDADD = ${POTENTIALSSPECIFICSLIBS}
    5961
    60 FourBodyPotential_TorsionUnitTest_SOURCES = $(top_srcdir)/src/unittests/UnitTestMain.cpp \
     62FourBodyPotential_TorsionUnitTest_SOURCES = \
    6163        ../Potentials/Specifics/unittests/FourBodyPotential_TorsionUnitTest.cpp \
    6264        ../Potentials/Specifics/unittests/FourBodyPotential_TorsionUnitTest.hpp
    6365FourBodyPotential_TorsionUnitTest_LDADD = ${POTENTIALSSPECIFICSLIBS}
    6466
    65 ManyBodyPotential_TersoffUnitTest_SOURCES = $(top_srcdir)/src/unittests/UnitTestMain.cpp \
     67ManyBodyPotential_TersoffUnitTest_SOURCES = \
    6668        ../Potentials/Specifics/unittests/ManyBodyPotential_TersoffUnitTest.cpp \
    6769        ../Potentials/Specifics/unittests/ManyBodyPotential_TersoffUnitTest.hpp
    6870ManyBodyPotential_TersoffUnitTest_LDADD = ${POTENTIALSSPECIFICSLIBS}
    6971
    70 PairPotential_HarmonicUnitTest_SOURCES = $(top_srcdir)/src/unittests/UnitTestMain.cpp \
     72PairPotential_HarmonicUnitTest_SOURCES = \
    7173        ../Potentials/Specifics/unittests/PairPotential_HarmonicUnitTest.cpp \
    7274        ../Potentials/Specifics/unittests/PairPotential_HarmonicUnitTest.hpp
    7375PairPotential_HarmonicUnitTest_LDADD = ${POTENTIALSSPECIFICSLIBS}
    7476
    75 PairPotential_LennardJonesUnitTest_SOURCES = $(top_srcdir)/src/unittests/UnitTestMain.cpp \
     77PairPotential_LennardJonesUnitTest_SOURCES = \
    7678        ../Potentials/Specifics/unittests/PairPotential_LennardJonesUnitTest.cpp \
    7779        ../Potentials/Specifics/unittests/PairPotential_LennardJonesUnitTest.hpp
    7880PairPotential_LennardJonesUnitTest_LDADD = ${POTENTIALSSPECIFICSLIBS}
    7981
    80 PairPotential_MorseUnitTest_SOURCES = $(top_srcdir)/src/unittests/UnitTestMain.cpp \
     82PairPotential_MorseUnitTest_SOURCES = \
    8183        ../Potentials/Specifics/unittests/PairPotential_MorseUnitTest.cpp \
    8284        ../Potentials/Specifics/unittests/PairPotential_MorseUnitTest.hpp
    8385PairPotential_MorseUnitTest_LDADD = ${POTENTIALSSPECIFICSLIBS}
    8486
    85 ThreeBodyPotential_AngleUnitTest_SOURCES = $(top_srcdir)/src/unittests/UnitTestMain.cpp \
     87ThreeBodyPotential_AngleUnitTest_SOURCES = \
    8688        ../Potentials/Specifics/unittests/ThreeBodyPotential_AngleUnitTest.cpp \
    8789        ../Potentials/Specifics/unittests/ThreeBodyPotential_AngleUnitTest.hpp
  • src/Potentials/unittests/Makefile.am

    r4c9101 ra91710  
    2222
    2323POTENTIALSLIBS = \
     24        libUnitTest.la \
     25        ../libMolecuilder.la \
    2426        ../libMolecuilderPotentials.la \
    2527        $(top_builddir)/LinearAlgebra/src/LinearAlgebra/libLinearAlgebra.la \
     
    2830        $(BOOST_LIB)
    2931
    30 CompoundPotentialUnitTest_SOURCES = $(top_srcdir)/src/unittests/UnitTestMain.cpp \
     32CompoundPotentialUnitTest_SOURCES = \
    3133        ../Potentials/unittests/CompoundPotentialUnitTest.cpp \
    3234        ../Potentials/unittests/CompoundPotentialUnitTest.hpp
    3335CompoundPotentialUnitTest_LDADD = \
     36        libUnitTest.la \
    3437        ../libMolecuilderPotentials.la \
    3538        ../libMolecuilderFragmentation.la \
     
    4346        $(BOOST_LIB)
    4447
    45 PartialNucleiChargeFitterUnitTest_SOURCES = $(top_srcdir)/src/unittests/UnitTestMain.cpp \
     48PartialNucleiChargeFitterUnitTest_SOURCES = \
    4649        ../Potentials/unittests/PartialNucleiChargeFitterUnitTest.cpp \
    4750        ../Potentials/unittests/PartialNucleiChargeFitterUnitTest.hpp
     
    5053        ${POTENTIALSLIBS}
    5154
    52 SerializablePotentialUnitTest_SOURCES = $(top_srcdir)/src/unittests/UnitTestMain.cpp \
     55SerializablePotentialUnitTest_SOURCES = \
    5356        ../Potentials/unittests/SerializablePotentialUnitTest.cpp \
    5457        ../Potentials/unittests/SerializablePotentialUnitTest.hpp \
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