source: src/unittests@ b54ac8

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
Name Size Rev Age Author Last Change
../
ActionSequenceTest.cpp 5.5 KB ​ cc04b7   15 years Till Crueger Added a central registry that allows access to actions by name.
ActionSequenceTest.hpp 865 bytes ​ 0229f9   15 years Till Crueger Added more tests for Actionsequence - Test if every included object …
ActOnAllUnitTest.cpp 3.9 KB ​ e138de   15 years FrederikHeber Huge change from ofstream * (const) out --> Log(). - first shift was …
ActOnAllUnitTest.hpp 842 bytes ​ 46ea3b   15 years FrederikHeber Test code is moved to its own source subdirectory: test. - …
analysisbondsunittest.cpp 5.2 KB ​ 49e1ae   15 years FrederikHeber cstring header was missing in files, supplying definition of strlen, …
analysisbondsunittest.hpp 979 bytes ​ 220cf37   15 years FrederikHeber Two new bond analysis functions. - GetMaxMinMeanBondCount() - …
AnalysisCorrelationToPointUnitTest.cpp 4.3 KB ​ 49e1ae   15 years FrederikHeber cstring header was missing in files, supplying definition of strlen, …
AnalysisCorrelationToPointUnitTest.hpp 1.2 KB ​ a5551b   15 years FrederikHeber Closed ticket #48 (AnalysisCorrelation...() take MoleculeListClass …
AnalysisCorrelationToSurfaceUnitTest.cpp 6.9 KB ​ 49e1ae   15 years FrederikHeber cstring header was missing in files, supplying definition of strlen, …
AnalysisCorrelationToSurfaceUnitTest.hpp 1.5 KB ​ a5551b   15 years FrederikHeber Closed ticket #48 (AnalysisCorrelation...() take MoleculeListClass …
AnalysisPairCorrelationUnitTest.cpp 4.1 KB ​ 49e1ae   15 years FrederikHeber cstring header was missing in files, supplying definition of strlen, …
AnalysisPairCorrelationUnitTest.hpp 1.2 KB ​ a5551b   15 years FrederikHeber Closed ticket #48 (AnalysisCorrelation...() take MoleculeListClass …
atomsCalculationTest.cpp 3.5 KB ​ b54ac8   15 years Till Crueger Added templates that allow arbitrary calculations on atoms to be …
atomsCalculationTest.hpp 649 bytes ​ b54ac8   15 years Till Crueger Added templates that allow arbitrary calculations on atoms to be …
bondgraphunittest.cpp 3.8 KB ​ 49e1ae   15 years FrederikHeber cstring header was missing in files, supplying definition of strlen, …
bondgraphunittest.hpp 885 bytes ​ 9a7186   15 years FrederikHeber BUGFIX: unnecessary include in header, file not closed in definition …
CacheableTest.cpp 2.0 KB ​ 2ba827   15 years Till Crueger Changed all observed places to new observer structure
CacheableTest.hpp 509 bytes ​ e3c8b4   15 years Till Crueger Added data structure to allow caching of derived values
DescriptorUnittest.cpp 5.1 KB ​ 7a1ce5   15 years Till Crueger Rebuilt AtomDescriptors using PIMPL-Idiom and added unittest for …
DescriptorUnittest.hpp 663 bytes ​ 7a1ce5   15 years Till Crueger Rebuilt AtomDescriptors using PIMPL-Idiom and added unittest for …
gslmatrixsymmetricunittest.cpp 7.1 KB ​ 865272f   15 years FrederikHeber Added Determinant() function to class GSLMatrix. - new function …
gslmatrixsymmetricunittest.hpp 881 bytes ​ fc3b67   15 years FrederikHeber Wrapper class for gsl_matrix along with working Unit test. - new …
gslmatrixunittest.cpp 6.8 KB ​ fc3b67   15 years FrederikHeber Wrapper class for gsl_matrix along with working Unit test. - new …
gslmatrixunittest.hpp 863 bytes ​ fc3b67   15 years FrederikHeber Wrapper class for gsl_matrix along with working Unit test. - new …
gslvectorunittest.cpp 2.9 KB ​ 9fb860   15 years FrederikHeber Wrapper class for gsl_vector along with working Unit test. - new …
gslvectorunittest.hpp 799 bytes ​ 9fb860   15 years FrederikHeber Wrapper class for gsl_vector along with working Unit test. - new …
infounittest.cpp 1.5 KB ​ 8725ed   15 years FrederikHeber New Info class that contains a global verbosity level, increased per …
infounittest.hpp 569 bytes ​ 8725ed   15 years FrederikHeber New Info class that contains a global verbosity level, increased per …
linearsystemofequationsunittest.cpp 3.2 KB ​ f60610   15 years FrederikHeber Wrapper class for gsl_linalg along with working Unit test. - new …
linearsystemofequationsunittest.hpp 946 bytes ​ f60610   15 years FrederikHeber Wrapper class for gsl_linalg along with working Unit test. - new …
listofbondsunittest.cpp 7.1 KB ​ 49e1ae   15 years FrederikHeber cstring header was missing in files, supplying definition of strlen, …
listofbondsunittest.hpp 1.1 KB ​ 266237   15 years FrederikHeber Huge refactoring: molecule::ListOfBondsPerAtom and …
logunittest.cpp 1.9 KB ​ e138de   15 years FrederikHeber Huge change from ofstream * (const) out --> Log(). - first shift was …
logunittest.hpp 459 bytes ​ 06c7a3   15 years Saskia Metzler Ticket 43 Create a logging class The verbosity level can now be …
Makefile.am 4.3 KB ​ b54ac8   15 years Till Crueger Added templates that allow arbitrary calculations on atoms to be …
manipulateAtomsTest.cpp 4.3 KB ​ b54ac8   15 years Till Crueger Added templates that allow arbitrary calculations on atoms to be …
manipulateAtomsTest.hpp 702 bytes ​ afb47f   15 years Till Crueger Added a mechanism that allows the world to track changes done by the …
memoryallocatorunittest.cpp 2.6 KB ​ e138de   15 years FrederikHeber Huge change from ofstream * (const) out --> Log(). - first shift was …
memoryallocatorunittest.hpp 703 bytes ​ be90f1   15 years Saskia Metzler temp commit
memoryusageobserverunittest.cpp 5.6 KB ​ be90f1   15 years Saskia Metzler temp commit
memoryusageobserverunittest.hpp 1.6 KB ​ be90f1   15 years Saskia Metzler temp commit
ObserverTest.cpp 5.5 KB ​ 317df8   15 years Till Crueger Changed Observer to use RAII-style for locking changes.
ObserverTest.hpp 1.1 KB ​ d5f216   15 years Till Crueger Added a view that displays all molecules using a QTableWidget
stackclassunittest.cpp 2.6 KB ​ e138de   15 years FrederikHeber Huge change from ofstream * (const) out --> Log(). - first shift was …
stackclassunittest.hpp 760 bytes ​ 8c5327   15 years FrederikHeber Added Unit test for StackClass. - was former …
tesselation_boundarytriangleunittest.cpp 7.4 KB ​ e9c677   15 years FrederikHeber Unit test for BoundaryTriangleSet member functions added. - for now …
tesselation_boundarytriangleunittest.hpp 1.1 KB ​ e9c677   15 years FrederikHeber Unit test for BoundaryTriangleSet member functions added. - for now …
tesselation_insideoutsideunittest.cpp 6.6 KB ​ 68a53b   15 years FrederikHeber BUGFIX - Test was wrong in upper bounds of inside area. - upper …
tesselation_insideoutsideunittest.hpp 932 bytes ​ c15ca2   15 years FrederikHeber Changes to FindClosest...ToVector() and use of ..Map,..Set,..List …
tesselationunittest.cpp 7.3 KB ​ 49e1ae   15 years FrederikHeber cstring header was missing in files, supplying definition of strlen, …
tesselationunittest.hpp 934 bytes ​ c15ca2   15 years FrederikHeber Changes to FindClosest...ToVector() and use of ..Map,..Set,..List …
vectorunittest.cpp 10.5 KB ​ e138de   15 years FrederikHeber Huge change from ofstream * (const) out --> Log(). - first shift was …
vectorunittest.hpp 1.5 KB ​ be90f1   15 years Saskia Metzler temp commit
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