Ignore:
Timestamp:
Oct 20, 2011, 10:42:16 PM (14 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:
f94953
Parents:
fa9d1d (diff), 752bb4 (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.
git-author:
Frederik Heber <heber@…> (10/20/11 22:40:59)
git-committer:
Frederik Heber <heber@…> (10/20/11 22:42:16)
Message:

Merge branch 'Adding_Psi3Parser' into stable

Conflicts:

src/Parser/FormatParser.hpp
src/Parser/unittests/ParserTremoloUnitTest.cpp

Issues:

  • Element and periodentafel have been moved to folder src/Element.
File:
1 edited

Legend:

Unmodified
Added
Removed
  • src/Parser/unittests/Makefile.am

    rfa9d1d r360c8b  
    22# Also indentation by a single tab
    33
     4include ../../src/Parser/Parameters/unittests/Makefile.am
    45
    56PARSERTESTSSOURCES = \
     
    78        ../Parser/unittests/ParserPcpUnitTest.cpp \
    89        ../Parser/unittests/ParserPdbUnitTest.cpp \
     10        ../Parser/unittests/ParserPsi3UnitTest.cpp \
    911        ../Parser/unittests/ParserTremoloUnitTest.cpp \
    1012        ../Parser/unittests/ParserXyzUnitTest.cpp
     
    1416        ../Parser/unittests/ParserPcpUnitTest.hpp \
    1517        ../Parser/unittests/ParserPdbUnitTest.hpp \
     18        ../Parser/unittests/ParserPsi3UnitTest.hpp \
    1619        ../Parser/unittests/ParserTremoloUnitTest.hpp \
    1720        ../Parser/unittests/ParserXyzUnitTest.hpp
     
    2124  ParserPcpUnitTest \
    2225  ParserPdbUnitTest \
     26  ParserPsi3UnitTest \
    2327  ParserTremoloUnitTest \
    2428  ParserXyzUnitTest
     
    3337        ${CodePatterns_LIBS}
    3438#       $(BOOST_LIB)
    35 
    3639
    3740
     
    5154ParserPdbUnitTest_LDADD = ${PARSERLIBS}
    5255
     56ParserPsi3UnitTest_SOURCES = $(top_srcdir)/src/unittests/UnitTestMain.cpp \
     57        ../Parser/unittests/ParserPsi3UnitTest.cpp \
     58        ../Parser/unittests/ParserPsi3UnitTest.hpp
     59ParserPsi3UnitTest_LDADD = ${PARSERLIBS}
     60
    5361ParserTremoloUnitTest_SOURCES = $(top_srcdir)/src/unittests/UnitTestMain.cpp \
    5462        ../Parser/unittests/ParserTremoloUnitTest.cpp \
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