source: src/Parser/unittests@ 2034f3

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 3.1 KB ​ 2034f3   13 years FrederikHeber Added AtomInfo::charge along with getter and setter. - charge is used …
ParserMpqcUnitTest.cpp 11.7 KB ​ 0aa122   13 years FrederikHeber Updated all source files's copyright note to current year 2012.
ParserMpqcUnitTest.hpp 901 bytes ​ ee50c1   13 years FrederikHeber Complete rewrite of MpqcParser_Parameters to incorporate new …
ParserPcpUnitTest.cpp 6.1 KB ​ 0aa122   13 years FrederikHeber Updated all source files's copyright note to current year 2012.
ParserPcpUnitTest.hpp 633 bytes ​ 765f16   13 years FrederikHeber Huge Refactoring of FormatParserStorage and all FormatParser's. …
ParserPdbUnitTest.cpp 3.0 KB ​ c0e28c   13 years FrederikHeber FIX: One could not load another pdb file due to local ids messing up. …
ParserPdbUnitTest.hpp 633 bytes ​ 765f16   13 years FrederikHeber Huge Refactoring of FormatParserStorage and all FormatParser's. …
ParserPsi3UnitTest.cpp 14.6 KB ​ 0aa122   13 years FrederikHeber Updated all source files's copyright note to current year 2012.
ParserPsi3UnitTest.hpp 964 bytes ​ 154a45   13 years FrederikHeber ParserPsi3UnitTest::ParameterCloneTest() is working.
ParserTremolo_ElementKeysUnitTest.cpp 1.8 KB ​ d9005c1   13 years FrederikHeber Extracted TremoloParser::knownTypes into distinct class ElementKeys, …
ParserTremolo_ElementKeysUnitTest.hpp 754 bytes ​ d9005c1   13 years FrederikHeber Extracted TremoloParser::knownTypes into distinct class ElementKeys, …
ParserTremoloUnitTest.cpp 6.5 KB ​ ccb487   13 years FrederikHeber TremoloParser now always writes current domain as "# Box ..." into …
ParserTremoloUnitTest.hpp 1.2 KB ​ 765f16   13 years FrederikHeber Huge Refactoring of FormatParserStorage and all FormatParser's. …
ParserXmlUnitTest.cpp 3.3 KB ​ 2034f3   13 years FrederikHeber Added AtomInfo::charge along with getter and setter. - charge is used …
ParserXmlUnitTest.hpp 632 bytes ​ d2596b   13 years FrederikHeber Added XmlParser for parsing configurations for ScaFaCoS generic test …
ParserXyzUnitTest.cpp 4.7 KB ​ 0aa122   13 years FrederikHeber Updated all source files's copyright note to current year 2012.
ParserXyzUnitTest.hpp 763 bytes ​ 765f16   13 years FrederikHeber Huge Refactoring of FormatParserStorage and all FormatParser's. …
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