source: src/unittests@ cca9ef

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
Name Size Rev Age Author Last Change
../
vectorunittest.hpp 1.5 KB ​ 57f243   15 years FrederikHeber Created libMolecuilderLinearAlgebra. - is shared. - contains the …
vectorunittest.cpp 8.6 KB ​ cca9ef   15 years FrederikHeber Renamed Matrix to RealSpaceMatrix. - class Matrix only represents 3x3 …
UnitTestMain.cpp 1.2 KB ​ bcf653   15 years FrederikHeber Added copyright note to each .cpp file and an extensive one to builder.cpp.
TestRunnerMain.cpp 682 bytes ​ bcf653   15 years FrederikHeber Added copyright note to each .cpp file and an extensive one to builder.cpp.
tesselationunittest.hpp 987 bytes ​ 88b400   15 years FrederikHeber converted #define's to enums, consts and typedefs [Meyers, "Effective …
tesselationunittest.cpp 6.8 KB ​ af2c424   15 years FrederikHeber LinkedCell constructor rewritten. - had to introduce …
tesselation_insideoutsideunittest.hpp 985 bytes ​ 88b400   15 years FrederikHeber converted #define's to enums, consts and typedefs [Meyers, "Effective …
tesselation_insideoutsideunittest.cpp 5.8 KB ​ af2c424   15 years FrederikHeber LinkedCell constructor rewritten. - had to introduce …
tesselation_boundarytriangleunittest.hpp 1.2 KB ​ 88b400   15 years FrederikHeber converted #define's to enums, consts and typedefs [Meyers, "Effective …
tesselation_boundarytriangleunittest.cpp 7.3 KB ​ bcf653   15 years FrederikHeber Added copyright note to each .cpp file and an extensive one to builder.cpp.
stackclassunittest.hpp 760 bytes ​ 8c5327   16 years FrederikHeber Added Unit test for StackClass. - was former …
stackclassunittest.cpp 2.3 KB ​ bcf653   15 years FrederikHeber Added copyright note to each .cpp file and an extensive one to builder.cpp.
SingletonTest.hpp 450 bytes ​ d25863   16 years Till Crueger Added Unittest for Singleton pattern
SingletonTest.cpp 4.8 KB ​ bcf653   15 years FrederikHeber Added copyright note to each .cpp file and an extensive one to builder.cpp.
ShapeUnittest.hpp 1.2 KB ​ 57f243   15 years FrederikHeber Created libMolecuilderLinearAlgebra. - is shared. - contains the …
ShapeUnittest.cpp 24.0 KB ​ bcf653   15 years FrederikHeber Added copyright note to each .cpp file and an extensive one to builder.cpp.
RegistryUnitTest.hpp 576 bytes ​ e4afb4   15 years FrederikHeber Huge refactoring: Introduction of Traits to Actions. This change is …
RegistryUnitTest.cpp 1.1 KB ​ e4afb4   15 years FrederikHeber Huge refactoring: Introduction of Traits to Actions. This change is …
PlaneUnittest.hpp 870 bytes ​ 57f243   15 years FrederikHeber Created libMolecuilderLinearAlgebra. - is shared. - contains the …
PlaneUnittest.cpp 7.7 KB ​ bcf653   15 years FrederikHeber Added copyright note to each .cpp file and an extensive one to builder.cpp.
periodentafelTest.hpp 798 bytes ​ e5c0a1   15 years Till Crueger Made the periodentafel return only "const element *" instead of …
periodentafelTest.cpp 3.1 KB ​ bcf653   15 years FrederikHeber Added copyright note to each .cpp file and an extensive one to builder.cpp.
ParserUnitTest.hpp 1.2 KB ​ 1b2d30   15 years FrederikHeber Extended PcpParser, completed MpqcParser. - BUGFIX: …
ParserUnitTest.cpp 11.9 KB ​ dc1d9e   15 years FrederikHeber Several bugfixes for TremoloParser. - overloaded readAtomDataLine to …
ObserverTest.hpp 1.6 KB ​ 8774c5   15 years Till Crueger Added operator-> for Observed Iterators
ObserverTest.cpp 12.5 KB ​ bcf653   15 years FrederikHeber Added copyright note to each .cpp file and an extensive one to builder.cpp.
MoleculeDescriptorTest.hpp 830 bytes ​ 88b400   15 years FrederikHeber converted #define's to enums, consts and typedefs [Meyers, "Effective …
MoleculeDescriptorTest.cpp 5.9 KB ​ bcf653   15 years FrederikHeber Added copyright note to each .cpp file and an extensive one to builder.cpp.
MenuDescriptionUnitTest.hpp 704 bytes ​ e4afb4   15 years FrederikHeber Huge refactoring: Introduction of Traits to Actions. This change is …
MenuDescriptionUnitTest.cpp 2.6 KB ​ c82d0c   15 years FrederikHeber MenuDescription is now a singleton. - also all Maps are static …
memoryusageobserverunittest.hpp 1.6 KB ​ be90f1   16 years Saskia Metzler temp commit
memoryusageobserverunittest.cpp 5.4 KB ​ bcf653   15 years FrederikHeber Added copyright note to each .cpp file and an extensive one to builder.cpp.
memoryallocatorunittest.hpp 703 bytes ​ be90f1   16 years Saskia Metzler temp commit
memoryallocatorunittest.cpp 2.4 KB ​ bcf653   15 years FrederikHeber Added copyright note to each .cpp file and an extensive one to builder.cpp.
MatrixUnittest.hpp 1.1 KB ​ cca9ef   15 years FrederikHeber Renamed Matrix to RealSpaceMatrix. - class Matrix only represents 3x3 …
MatrixUnittest.cpp 10.4 KB ​ cca9ef   15 years FrederikHeber Renamed Matrix to RealSpaceMatrix. - class Matrix only represents 3x3 …
MapofActionsTest.hpp 795 bytes ​ 97ebf8   15 years FrederikHeber Added all commands defined in ParseCommandLineOptions() as Actions. - …
MapofActionsTest.cpp 2.4 KB ​ bcf653   15 years FrederikHeber Added copyright note to each .cpp file and an extensive one to builder.cpp.
manipulateAtomsTest.hpp 756 bytes ​ 694d84   15 years FrederikHeber MEMFIX: static factories map of UIFactory was not clear()'ed in …
manipulateAtomsTest.cpp 3.8 KB ​ 694d84   15 years FrederikHeber MEMFIX: static factories map of UIFactory was not clear()'ed in …
Makefile.am 9.3 KB ​ d5240d   15 years FrederikHeber FIX: Linking to non-system boost is working now. - FIX: …
logunittest.hpp 459 bytes ​ 06c7a3   16 years Saskia Metzler Ticket 43 Create a logging class The verbosity level can now be …
logunittest.cpp 1.8 KB ​ bcf653   15 years FrederikHeber Added copyright note to each .cpp file and an extensive one to builder.cpp.
listofbondsunittest.hpp 1.1 KB ​ 4eb4fe   15 years FrederikHeber "-e <db path>" not necessary anymore. Removed necessity of specifying …
listofbondsunittest.cpp 7.8 KB ​ bcf653   15 years FrederikHeber Added copyright note to each .cpp file and an extensive one to builder.cpp.
LinkedCellUnitTest.hpp 1.3 KB ​ 4eb4fe   15 years FrederikHeber "-e <db path>" not necessary anymore. Removed necessity of specifying …
LinkedCellUnitTest.cpp 12.2 KB ​ af2c424   15 years FrederikHeber LinkedCell constructor rewritten. - had to introduce …
LineUnittest.hpp 913 bytes ​ 57f243   15 years FrederikHeber Created libMolecuilderLinearAlgebra. - is shared. - contains the …
LineUnittest.cpp 14.4 KB ​ bcf653   15 years FrederikHeber Added copyright note to each .cpp file and an extensive one to builder.cpp.
linearsystemofequationsunittest.hpp 960 bytes ​ 57f243   15 years FrederikHeber Created libMolecuilderLinearAlgebra. - is shared. - contains the …
linearsystemofequationsunittest.cpp 2.8 KB ​ bcf653   15 years FrederikHeber Added copyright note to each .cpp file and an extensive one to builder.cpp.
infounittest.hpp 569 bytes ​ 8725ed   16 years FrederikHeber New Info class that contains a global verbosity level, increased per …
infounittest.cpp 1.2 KB ​ bcf653   15 years FrederikHeber Added copyright note to each .cpp file and an extensive one to builder.cpp.
gslvectorunittest.hpp 949 bytes ​ 57f243   15 years FrederikHeber Created libMolecuilderLinearAlgebra. - is shared. - contains the …
gslvectorunittest.cpp 3.8 KB ​ bcf653   15 years FrederikHeber Added copyright note to each .cpp file and an extensive one to builder.cpp.
gslmatrixunittest.hpp 877 bytes ​ 57f243   15 years FrederikHeber Created libMolecuilderLinearAlgebra. - is shared. - contains the …
gslmatrixunittest.cpp 6.5 KB ​ bcf653   15 years FrederikHeber Added copyright note to each .cpp file and an extensive one to builder.cpp.
gslmatrixsymmetricunittest.hpp 895 bytes ​ 57f243   15 years FrederikHeber Created libMolecuilderLinearAlgebra. - is shared. - contains the …
gslmatrixsymmetricunittest.cpp 6.8 KB ​ bcf653   15 years FrederikHeber Added copyright note to each .cpp file and an extensive one to builder.cpp.
FormulaUnittest.hpp 496 bytes ​ 9f632c   15 years Till Crueger Added Unittest for formula class
FormulaUnittest.cpp 10.0 KB ​ bcf653   15 years FrederikHeber Added copyright note to each .cpp file and an extensive one to builder.cpp.
DummyUI.hpp 1.8 KB ​ 6f5dfe   15 years FrederikHeber Added boost::filesystem usage for input files. - parameters for …
CountBondsUnitTest.hpp 1.0 KB ​ 4eb4fe   15 years FrederikHeber "-e <db path>" not necessary anymore. Removed necessity of specifying …
CountBondsUnitTest.cpp 8.6 KB ​ bcf653   15 years FrederikHeber Added copyright note to each .cpp file and an extensive one to builder.cpp.
CacheableTest.hpp 509 bytes ​ e3c8b4   16 years Till Crueger Added data structure to allow caching of derived values
CacheableTest.cpp 2.0 KB ​ bcf653   15 years FrederikHeber Added copyright note to each .cpp file and an extensive one to builder.cpp.
BoxUnittest.hpp 1.1 KB ​ cca9ef   15 years FrederikHeber Renamed Matrix to RealSpaceMatrix. - class Matrix only represents 3x3 …
BoxUnittest.cpp 76.1 KB ​ cca9ef   15 years FrederikHeber Renamed Matrix to RealSpaceMatrix. - class Matrix only represents 3x3 …
bondgraphunittest.hpp 1.1 KB ​ 4eb4fe   15 years FrederikHeber "-e <db path>" not necessary anymore. Removed necessity of specifying …
bondgraphunittest.cpp 5.1 KB ​ bcf653   15 years FrederikHeber Added copyright note to each .cpp file and an extensive one to builder.cpp.
atomsCalculationTest.hpp 736 bytes ​ 88b400   15 years FrederikHeber converted #define's to enums, consts and typedefs [Meyers, "Effective …
atomsCalculationTest.cpp 3.1 KB ​ e4afb4   15 years FrederikHeber Huge refactoring: Introduction of Traits to Actions. This change is …
AtomDescriptorTest.hpp 750 bytes ​ 88b400   15 years FrederikHeber converted #define's to enums, consts and typedefs [Meyers, "Effective …
AtomDescriptorTest.cpp 5.2 KB ​ bcf653   15 years FrederikHeber Added copyright note to each .cpp file and an extensive one to builder.cpp.
AnalysisPairCorrelationUnitTest.hpp 1.1 KB ​ e5c0a1   15 years Till Crueger Made the periodentafel return only "const element *" instead of …
AnalysisPairCorrelationUnitTest.cpp 4.1 KB ​ bcf653   15 years FrederikHeber Added copyright note to each .cpp file and an extensive one to builder.cpp.
AnalysisCorrelationToSurfaceUnitTest.hpp 1.6 KB ​ e5c0a1   15 years Till Crueger Made the periodentafel return only "const element *" instead of …
AnalysisCorrelationToSurfaceUnitTest.cpp 7.8 KB ​ af2c424   15 years FrederikHeber LinkedCell constructor rewritten. - had to introduce …
AnalysisCorrelationToPointUnitTest.hpp 1.2 KB ​ e5c0a1   15 years Till Crueger Made the periodentafel return only "const element *" instead of …
AnalysisCorrelationToPointUnitTest.cpp 4.0 KB ​ bcf653   15 years FrederikHeber Added copyright note to each .cpp file and an extensive one to builder.cpp.
analysisbondsunittest.hpp 963 bytes ​ 4eb4fe   15 years FrederikHeber "-e <db path>" not necessary anymore. Removed necessity of specifying …
analysisbondsunittest.cpp 5.5 KB ​ bcf653   15 years FrederikHeber Added copyright note to each .cpp file and an extensive one to builder.cpp.
ActOnAllUnitTest.hpp 920 bytes ​ 0a4f7f   16 years Till Crueger Made data internal data-structure of vector class private - Replaced …
ActOnAllUnitTest.cpp 3.8 KB ​ bcf653   15 years FrederikHeber Added copyright note to each .cpp file and an extensive one to builder.cpp.
ActionSequenceTest.hpp 887 bytes ​ 694d84   15 years FrederikHeber MEMFIX: static factories map of UIFactory was not clear()'ed in …
ActionSequenceTest.cpp 7.5 KB ​ 694d84   15 years FrederikHeber MEMFIX: static factories map of UIFactory was not clear()'ed in …
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