source: src/Parser/unittests@ 3e2225f

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
../
Makefile.am 1.8 KB ​ 3e2225f   14 years FrederikHeber Removed subdir Exceptions and libMolecuilderExceptions. - changes in …
ParserMpqcUnitTest.cpp 11.4 KB ​ 311da7b   14 years FrederikHeber FIX: Changed MpqcParser. - some ASSERTs were missing and showed up …
ParserMpqcUnitTest.hpp 889 bytes ​ 44fce5   14 years FrederikHeber Extended MpqcParser_Parameters, can set and get all values. - new …
ParserPcpUnitTest.cpp 6.0 KB ​ 255829   14 years FrederikHeber Removed Helpers.hpp, deleted Helpers.cpp and libMoleCuilderHelpers.la …
ParserPcpUnitTest.hpp 562 bytes ​ 9e4fd1   14 years FrederikHeber Split up ParserCommonUnitTest into a UnitTest for each Parser.
ParserPdbUnitTest.cpp 3.0 KB ​ 255829   14 years FrederikHeber Removed Helpers.hpp, deleted Helpers.cpp and libMoleCuilderHelpers.la …
ParserPdbUnitTest.hpp 562 bytes ​ 9e4fd1   14 years FrederikHeber Split up ParserCommonUnitTest into a UnitTest for each Parser.
ParserTremoloUnitTest.cpp 6.5 KB ​ 073a9e4   14 years FrederikHeber BondedParticle::(Un)RegisterBond,AddBond,IsBondedTo with step. - …
ParserTremoloUnitTest.hpp 1.2 KB ​ 56f73b   14 years FrederikHeber Added config.h also to all header files, code check test ascertain …
ParserXyzUnitTest.cpp 4.8 KB ​ 255829   14 years FrederikHeber Removed Helpers.hpp, deleted Helpers.cpp and libMoleCuilderHelpers.la …
ParserXyzUnitTest.hpp 692 bytes ​ 0180d6   14 years FrederikHeber Enhanced XyzParser to load and save multiple time steps. - Extended …
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