source: src/Parser@ db7cb0

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 Candidate_v1.7.1 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
../
XyzParser.hpp 424 bytes ​ a1e929   16 years FrederikHeber Case 'p' is now handled by CommandLineUI. - ~XyzParser() did destroy …
XyzParser.cpp 2.6 KB ​ bcf653   16 years FrederikHeber Added copyright note to each .cpp file and an extensive one to builder.cpp.
TremoloParser.hpp 2.7 KB ​ dc1d9e   16 years FrederikHeber Several bugfixes for TremoloParser. - overloaded readAtomDataLine to …
TremoloParser.cpp 15.3 KB ​ 74a444   16 years FrederikHeber TremoloParser can now deal with copied molecules/atoms. - as some …
PdbParser.hpp 2.2 KB ​ 21585f   16 years FrederikHeber Added getter/setter for PdbParser::atomIdMap().
PdbParser.cpp 12.3 KB ​ 21585f   16 years FrederikHeber Added getter/setter for PdbParser::atomIdMap().
PcpParser.hpp 3.0 KB ​ 97b825   16 years FrederikHeber Shortened constructors [Meyers, "Effective C++" item 12] - also …
PcpParser.cpp 34.3 KB ​ 14c57a   16 years Till Crueger Made all parts of the programm use the new thermostat structure
MpqcParser.hpp 648 bytes ​ 986ed3   16 years Till Crueger COMPILE_SPEEDUP: Replaced all implicit inclusions of iostream with forwards
MpqcParser.cpp 4.8 KB ​ 0dc86e2   16 years Till Crueger Removed unused AtomNo parameter in atom::OutputMPQCLine()
Makefile.am 3.2 KB ​ 3ae731   16 years FrederikHeber Added initial PdbParser.
FormatParserStorage.hpp 2.1 KB ​ a42054   16 years FrederikHeber Extended FormatParserStorage. - renamed ParserSuffix -> …
FormatParserStorage.cpp 8.0 KB ​ a42054   16 years FrederikHeber Extended FormatParserStorage. - renamed ParserSuffix -> …
FormatParser.hpp 655 bytes ​ ab4b55   17 years Saskia Metzler the XYZ parser
FormatParser.cpp 1.4 KB ​ bcf653   16 years FrederikHeber Added copyright note to each .cpp file and an extensive one to builder.cpp.
ChangeTracker.hpp 787 bytes ​ 2f40c0e   16 years FrederikHeber ChangeTracker now uses the Singleton pattern. - ChangeTracker is now …
ChangeTracker.cpp 1.5 KB ​ bcf653   16 years FrederikHeber Added copyright note to each .cpp file and an extensive one to builder.cpp.
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