source: src/unittests@ fc3b67

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
../
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 ​ 220cf37   15 years FrederikHeber Two new bond analysis functions. - GetMaxMinMeanBondCount() - …
analysisbondsunittest.hpp 979 bytes ​ 220cf37   15 years FrederikHeber Two new bond analysis functions. - GetMaxMinMeanBondCount() - …
AnalysisCorrelationToPointUnitTest.cpp 4.3 KB ​ e138de   15 years FrederikHeber Huge change from ofstream * (const) out --> Log(). - first shift was …
AnalysisCorrelationToPointUnitTest.hpp 1.2 KB ​ a5551b   15 years FrederikHeber Closed ticket #48 (AnalysisCorrelation...() take MoleculeListClass …
AnalysisCorrelationToSurfaceUnitTest.cpp 6.9 KB ​ e138de   15 years FrederikHeber Huge change from ofstream * (const) out --> Log(). - first shift was …
AnalysisCorrelationToSurfaceUnitTest.hpp 1.5 KB ​ a5551b   15 years FrederikHeber Closed ticket #48 (AnalysisCorrelation...() take MoleculeListClass …
AnalysisPairCorrelationUnitTest.cpp 4.1 KB ​ e138de   15 years FrederikHeber Huge change from ofstream * (const) out --> Log(). - first shift was …
AnalysisPairCorrelationUnitTest.hpp 1.2 KB ​ a5551b   15 years FrederikHeber Closed ticket #48 (AnalysisCorrelation...() take MoleculeListClass …
bondgraphunittest.cpp 3.8 KB ​ 9a7186   15 years FrederikHeber BUGFIX: unnecessary include in header, file not closed in definition …
bondgraphunittest.hpp 885 bytes ​ 9a7186   15 years FrederikHeber BUGFIX: unnecessary include in header, file not closed in definition …
gslmatrixsymmetricunittest.cpp 6.7 KB ​ fc3b67   15 years FrederikHeber Wrapper class for gsl_matrix along with working Unit test. - new …
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 …
listofbondsunittest.cpp 7.1 KB ​ 266237   15 years FrederikHeber Huge refactoring: molecule::ListOfBondsPerAtom and …
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 3.4 KB ​ fc3b67   15 years FrederikHeber Wrapper class for gsl_matrix along with working Unit test. - new …
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
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_insideoutsideunittest.cpp 6.6 KB ​ 97498a   15 years FrederikHeber Attempt to fix the tesselation::IsInnerPoint(). We try the …
tesselation_insideoutsideunittest.hpp 932 bytes ​ c15ca2   15 years FrederikHeber Changes to FindClosest...ToVector() and use of ..Map,..Set,..List …
tesselationunittest.cpp 7.3 KB ​ c15ca2   15 years FrederikHeber Changes to FindClosest...ToVector() and use of ..Map,..Set,..List …
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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