source: src/Parser@ ff3c40

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
../
unittests 41396a   15 years FrederikHeber Moved Parser...UnitTest to Parser/unittests/Parser...UnitTest.
ChangeTracker.cpp 1.5 KB ​ bcf653   15 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 …
FormatParser.cpp 1.5 KB ​ 73916f   15 years FrederikHeber Extended FormatParser::save() to use vector<atom *> to save. - This …
FormatParser.hpp 702 bytes ​ 73916f   15 years FrederikHeber Extended FormatParser::save() to use vector<atom *> to save. - This …
FormatParserStorage.cpp 10.7 KB ​ 73916f   15 years FrederikHeber Extended FormatParser::save() to use vector<atom *> to save. - This …
FormatParserStorage.hpp 2.4 KB ​ 73916f   15 years FrederikHeber Extended FormatParser::save() to use vector<atom *> to save. - This …
Makefile.am 3.4 KB ​ 031e2c6   15 years FrederikHeber Splitted off classes TremoloKey and TremoloAtomInfoContainer into own …
MpqcParser.cpp 5.1 KB ​ 73916f   15 years FrederikHeber Extended FormatParser::save() to use vector<atom *> to save. - This …
MpqcParser.hpp 750 bytes ​ 73916f   15 years FrederikHeber Extended FormatParser::save() to use vector<atom *> to save. - This …
PcpParser.cpp 34.3 KB ​ 73916f   15 years FrederikHeber Extended FormatParser::save() to use vector<atom *> to save. - This …
PcpParser.hpp 3.0 KB ​ 73916f   15 years FrederikHeber Extended FormatParser::save() to use vector<atom *> to save. - This …
PdbAtomInfoContainer.cpp 3.9 KB ​ 16462f   15 years FrederikHeber PdbParser is now complete with respect to additionalAtomData. - …
PdbAtomInfoContainer.hpp 1.9 KB ​ 16462f   15 years FrederikHeber PdbParser is now complete with respect to additionalAtomData. - …
PdbKey.hpp 490 bytes ​ 16462f   15 years FrederikHeber PdbParser is now complete with respect to additionalAtomData. - …
PdbParser.cpp 22.6 KB ​ 73916f   15 years FrederikHeber Extended FormatParser::save() to use vector<atom *> to save. - This …
PdbParser.hpp 2.1 KB ​ 73916f   15 years FrederikHeber Extended FormatParser::save() to use vector<atom *> to save. - This …
TremoloAtomInfoContainer.cpp 3.3 KB ​ ff3c40   15 years FrederikHeber BUGFIX: TremoloParser would store "noKey" if other format given as …
TremoloAtomInfoContainer.hpp 975 bytes ​ 0bbfa1   15 years FrederikHeber BUGFIX: Parsing a second .data file failed. - atomIdMap was not …
TremoloKey.hpp 529 bytes ​ 031e2c6   15 years FrederikHeber Splitted off classes TremoloKey and TremoloAtomInfoContainer into own …
TremoloParser.cpp 13.5 KB ​ ff3c40   15 years FrederikHeber BUGFIX: TremoloParser would store "noKey" if other format given as …
TremoloParser.hpp 1.8 KB ​ 73916f   15 years FrederikHeber Extended FormatParser::save() to use vector<atom *> to save. - This …
XyzParser.cpp 2.6 KB ​ 73916f   15 years FrederikHeber Extended FormatParser::save() to use vector<atom *> to save. - This …
XyzParser.hpp 458 bytes ​ 73916f   15 years FrederikHeber Extended FormatParser::save() to use vector<atom *> to save. - This …
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