source: src/Actions/PotentialAction@ 78202b

Action_Thermostats Add_AtomRandomPerturbation Add_FitFragmentPartialChargesAction Add_RotateAroundBondAction Add_SelectAtomByNameAction Added_ParseSaveFragmentResults 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_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 IndependentFragmentGrids IndependentFragmentGrids_IndividualZeroInstances IndependentFragmentGrids_IntegrationTest IndependentFragmentGrids_Sole_NN_Calculation JobMarket_RobustOnKillsSegFaults JobMarket_StableWorkerPool JobMarket_unresolvable_hostname_fix 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
../
SavePotentialsAction.hpp 370 bytes ​ 0ea063   10 years FrederikHeber Extracted SavePotentialsAction. - PotentialTrainer::StorePotentials …
SavePotentialsAction.def 1.2 KB ​ 0ea063   10 years FrederikHeber Extracted SavePotentialsAction. - PotentialTrainer::StorePotentials …
SavePotentialsAction.cpp 3.1 KB ​ fde8e7   9 years FrederikHeber Refactored PotentialSerializer and -Deserializer into more general …
SaveParticleParametersAction.hpp 410 bytes ​ 2082637   9 years FrederikHeber Added Parse- and SaveParticleParametersAction to parse/save …
SaveParticleParametersAction.def 1.3 KB ​ 2082637   9 years FrederikHeber Added Parse- and SaveParticleParametersAction to parse/save …
SaveParticleParametersAction.cpp 3.2 KB ​ 2082637   9 years FrederikHeber Added Parse- and SaveParticleParametersAction to parse/save …
SaveHomologiesAction.hpp 370 bytes ​ f5724f   12 years FrederikHeber Moved all FragmentationActions related to potentials into own menu and …
SaveHomologiesAction.def 1.2 KB ​ f5724f   12 years FrederikHeber Moved all FragmentationActions related to potentials into own menu and …
SaveHomologiesAction.cpp 3.2 KB ​ 26b4d62   11 years FrederikHeber All Actions now give correct failure status via STATUS() macro.
SaveAtomFragmentsAction.hpp 385 bytes ​ 78202b   9 years FrederikHeber Adding potential action to parse and save atom fragment associations. …
SaveAtomFragmentsAction.def 1.3 KB ​ 78202b   9 years FrederikHeber Adding potential action to parse and save atom fragment associations. …
SaveAtomFragmentsAction.cpp 3.3 KB ​ 78202b   9 years FrederikHeber Adding potential action to parse and save atom fragment associations. …
ParsePotentialsAction.hpp 375 bytes ​ f1eabd   10 years FrederikHeber Extracted ParsePotentialsAction from FitCompoundPotentialAction.
ParsePotentialsAction.def 1.3 KB ​ f1eabd   10 years FrederikHeber Extracted ParsePotentialsAction from FitCompoundPotentialAction.
ParsePotentialsAction.cpp 3.9 KB ​ fde8e7   9 years FrederikHeber Refactored PotentialSerializer and -Deserializer into more general …
ParseParticleParametersAction.hpp 415 bytes ​ 2082637   9 years FrederikHeber Added Parse- and SaveParticleParametersAction to parse/save …
ParseParticleParametersAction.def 1.4 KB ​ 2082637   9 years FrederikHeber Added Parse- and SaveParticleParametersAction to parse/save …
ParseParticleParametersAction.cpp 3.9 KB ​ 2082637   9 years FrederikHeber Added Parse- and SaveParticleParametersAction to parse/save …
ParseHomologiesAction.hpp 375 bytes ​ f5724f   12 years FrederikHeber Moved all FragmentationActions related to potentials into own menu and …
ParseHomologiesAction.def 1.2 KB ​ f5724f   12 years FrederikHeber Moved all FragmentationActions related to potentials into own menu and …
ParseHomologiesAction.cpp 3.7 KB ​ 276e2f   9 years FrederikHeber ParseHomologiesAction prints parsed homologies on larger verbosity setting.
ParseAtomFragmentsAction.hpp 390 bytes ​ 78202b   9 years FrederikHeber Adding potential action to parse and save atom fragment associations. …
ParseAtomFragmentsAction.def 1.2 KB ​ 78202b   9 years FrederikHeber Adding potential action to parse and save atom fragment associations. …
ParseAtomFragmentsAction.cpp 4.0 KB ​ 78202b   9 years FrederikHeber Adding potential action to parse and save atom fragment associations. …
FitPotentialAction.hpp 360 bytes ​ f5724f   12 years FrederikHeber Moved all FragmentationActions related to potentials into own menu and …
FitPotentialAction.def 2.6 KB ​ b40690   9 years FrederikHeber Fit..PotentialAction now allow setting maximum number of optimization …
FitPotentialAction.cpp 5.8 KB ​ fde8e7   9 years FrederikHeber Refactored PotentialSerializer and -Deserializer into more general …
FitPartialChargesAction.hpp 388 bytes ​ 50d49d   9 years FrederikHeber FIX: Renamed FitParticleCharges -> FitPartialCharges. - fitting …
FitPartialChargesAction.def 1.8 KB ​ a9099d   9 years FrederikHeber FitPartialChargesAction enforces net charge neutrality on default now. …
FitPartialChargesAction.cpp 8.9 KB ​ a9099d   9 years FrederikHeber FitPartialChargesAction enforces net charge neutrality on default now. …
FitCompoundPotentialAction.hpp 400 bytes ​ 98d166   10 years FrederikHeber Split FitPotentialAction into two actions. - FitPotentialAction fits …
FitCompoundPotentialAction.def 2.3 KB ​ b40690   9 years FrederikHeber Fit..PotentialAction now allow setting maximum number of optimization …
FitCompoundPotentialAction.cpp 4.0 KB ​ b40690   9 years FrederikHeber Fit..PotentialAction now allow setting maximum number of optimization …
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