source: src/Jobs@ 5f364e

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
../
unittests 353326   11 years FrederikHeber FIX: Changed LIBADDs and LDADDs to get rid of libtool patching. - …
InterfaceVMGDebugGridJob.cpp 3.0 KB ​ b123a5   12 years FrederikHeber Shifted functions to add window onto grid into own namespace. - …
InterfaceVMGDebugGridJob.hpp 1.3 KB ​ f6c19d   11 years FrederikHeber InterfaceVMGDebugJob now also uses optionally open boundary (FAS …
InterfaceVMGJob.cpp 12.7 KB ​ b47f9c   11 years FrederikHeber FIX: WindowGrid_converter::addWindowOntoGrid() never used …
InterfaceVMGJob.hpp 2.1 KB ​ b47f9c   11 years FrederikHeber FIX: WindowGrid_converter::addWindowOntoGrid() never used …
Makefile.am 3.8 KB ​ 049d4a   11 years FrederikHeber FIX: libMolecuilderUI's dependencies are now completely satisfied. - …
MPQCCommandJob.cpp 5.5 KB ​ ae68b5   11 years FrederikHeber Fixed some boost serialization static warnings.
MPQCCommandJob.hpp 1.8 KB ​ fbf143   12 years FrederikHeber Placed Containers, Converter, and SetValues as subfolders into …
MPQCCommandJob_binding.hpp 574 bytes ​ 4d4ef8   12 years FrederikHeber FIX: Enforce binding to libMolecuilderJobs for Server and PoolWorker. …
MPQCJob.cpp 2.4 KB ​ ae68b5   11 years FrederikHeber Fixed some boost serialization static warnings.
MPQCJob.hpp 1.7 KB ​ 6ff62c   12 years FrederikHeber Added DoValenceOnly has new option to FragmentationAutomationAction. …
MPQCJob_binding.hpp 612 bytes ​ 3d9a8d   12 years FrederikHeber SamplingGrid has no more size parameter but an end array. - this …
VMGDebugGridJob.cpp 5.2 KB ​ f6c19d   11 years FrederikHeber InterfaceVMGDebugJob now also uses optionally open boundary (FAS …
VMGDebugGridJob.hpp 2.0 KB ​ f6c19d   11 years FrederikHeber InterfaceVMGDebugJob now also uses optionally open boundary (FAS …
VMGDebugGridJob_binding.hpp 589 bytes ​ 4d4ef8   12 years FrederikHeber FIX: Enforce binding to libMolecuilderJobs for Server and PoolWorker. …
VMGJob.cpp 8.0 KB ​ ae68b5   11 years FrederikHeber Fixed some boost serialization static warnings.
VMGJob.hpp 4.2 KB ​ f6c19d   11 years FrederikHeber InterfaceVMGDebugJob now also uses optionally open boundary (FAS …
VMGJob_binding.hpp 629 bytes ​ 4d4ef8   12 years FrederikHeber FIX: Enforce binding to libMolecuilderJobs for Server and PoolWorker. …
WindowGrid_converter.cpp 13.9 KB ​ a2a2f7   11 years FrederikHeber Huge warning fix. - fixed unused variables. - fixed set but unused …
WindowGrid_converter.hpp 1.5 KB ​ d9d028   11 years FrederikHeber FIX: addGridOntoWindow() now working, too. - with this open boundary …
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