source: src/Potentials@ 8eafd6

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 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 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
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InternalCoordinates 4e6a60   11 years FrederikHeber Added CoordinatorFactory that returns the correct Coordinator for a …
Particles a9099d   9 years FrederikHeber FitPartialChargesAction enforces net charge neutrality on default now. …
Specifics 7d320c   10 years FrederikHeber MEMFIX: Static coordinator instances of specificv potentials need to …
unittests fdfc52   9 years FrederikHeber Renamed all SerializablePotential..Exceptions to …
CompoundPotential.cpp 18.5 KB ​ e1fe7e   11 years FrederikHeber FunctionModel now uses list_of_arguments to split sequence of subsets …
CompoundPotential.hpp 6.7 KB ​ e1fe7e   11 years FrederikHeber FunctionModel now uses list_of_arguments to split sequence of subsets …
EmpiricalPotential.hpp 2.7 KB ​ e1fe7e   11 years FrederikHeber FunctionModel now uses list_of_arguments to split sequence of subsets …
Exceptions.hpp 1.1 KB ​ fdfc52   9 years FrederikHeber Renamed all SerializablePotential..Exceptions to …
helpers.hpp 2.6 KB ​ e1fe7e   11 years FrederikHeber FunctionModel now uses list_of_arguments to split sequence of subsets …
Makefile.am 6.2 KB ​ fde8e7   9 years FrederikHeber Refactored PotentialSerializer and -Deserializer into more general …
PartialNucleiChargeFitter.cpp 13.4 KB ​ 8eafd6   9 years FrederikHeber Fixed typo in PartialNucleiChargeFitter.
PartialNucleiChargeFitter.hpp 5.1 KB ​ f60d95   11 years FrederikHeber PartialNucleiChargeFitter writes potential, solution, and residuum to …
ParticleTypeCheckers.cpp 3.2 KB ​ b760bc3   12 years FrederikHeber Added ParticleTypeChecker functions in own namespace and added checks …
ParticleTypeCheckers.hpp 1.2 KB ​ b760bc3   12 years FrederikHeber Added ParticleTypeChecker functions in own namespace and added checks …
PotentialFactory.cpp 5.2 KB ​ f6abb1   9 years FrederikHeber PotentialFactory now also complies to templated StreamFactory. - this …
PotentialFactory.hpp 1.8 KB ​ f6abb1   9 years FrederikHeber PotentialFactory now also complies to templated StreamFactory. - this …
PotentialRegistry.cpp 1.7 KB ​ 96c7d2   10 years FrederikHeber MEMFIX: PotentialRegistry's dstor forgot cleanup(). - also we purge …
PotentialRegistry.hpp 1.3 KB ​ 96c7d2   10 years FrederikHeber MEMFIX: PotentialRegistry's dstor forgot cleanup(). - also we purge …
PotentialTrainer.cpp 8.1 KB ​ fde8e7   9 years FrederikHeber Refactored PotentialSerializer and -Deserializer into more general …
PotentialTrainer.hpp 1.1 KB ​ b40690   9 years FrederikHeber Fit..PotentialAction now allow setting maximum number of optimization …
RegistryDeserializer.hpp 1.3 KB ​ fde8e7   9 years FrederikHeber Refactored PotentialSerializer and -Deserializer into more general …
RegistryDeserializer_impl.hpp 1.2 KB ​ fde8e7   9 years FrederikHeber Refactored PotentialSerializer and -Deserializer into more general …
RegistrySerializer.hpp 1.2 KB ​ fde8e7   9 years FrederikHeber Refactored PotentialSerializer and -Deserializer into more general …
RegistrySerializer_impl.hpp 760 bytes ​ fde8e7   9 years FrederikHeber Refactored PotentialSerializer and -Deserializer into more general …
SerializablePotential.cpp 6.3 KB ​ fdfc52   9 years FrederikHeber Renamed all SerializablePotential..Exceptions to …
SerializablePotential.hpp 5.4 KB ​ 96c7d2   10 years FrederikHeber MEMFIX: PotentialRegistry's dstor forgot cleanup(). - also we purge …
StreamFactory.hpp 678 bytes ​ 086e30   9 years FrederikHeber Added ParticleFactory and general StreamFactory. - StreamFactory …
StreamFactory_EmpiricalPotential.cpp 1.7 KB ​ f6abb1   9 years FrederikHeber PotentialFactory now also complies to templated StreamFactory. - this …
StreamFactory_EmpiricalPotential.hpp 1.3 KB ​ f6abb1   9 years FrederikHeber PotentialFactory now also complies to templated StreamFactory. - this …
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