source: src/Potentials@ c4abf2

Action_Thermostats Add_AtomRandomPerturbation Add_FitFragmentPartialChargesAction Add_RotateAroundBondAction Add_SelectAtomByNameAction Adding_Graph_to_ChangeBondActions Adding_MD_integration_tests Adding_StructOpt_integration_tests Automaking_mpqc_open AutomationFragmentation_failures Candidate_v1.5.4 Candidate_v1.6.0 Candidate_v1.6.1 Candidate_v1.7.0 ChangeBugEmailaddress ChangingTestPorts ChemicalSpaceEvaluator 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_StatusMsg Fix_StepWorldTime_single_argument Fix_Verbose_Codepatterns ForceAnnealing_goodresults ForceAnnealing_oldresults ForceAnnealing_tocheck ForceAnnealing_with_BondGraph ForceAnnealing_with_BondGraph_continued ForceAnnealing_with_BondGraph_continued_betteresults ForceAnnealing_with_BondGraph_contraction-expansion GeometryObjects 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 PythonUI_with_named_parameters QtGui_reactivate_TimeChanged_changes Recreated_GuiChecks RotateToPrincipalAxisSystem_UndoRedo SaturateAtoms_findBestMatching StoppableMakroAction Subpackage_CodePatterns Subpackage_JobMarket Subpackage_LinearAlgebra Subpackage_levmar Subpackage_mpqc_open Subpackage_vmg ThirdParty_MPQC_rebuilt_buildsystem TrajectoryDependenant_MaxOrder TremoloParser_IncreasedPrecision TremoloParser_MultipleTimesteps Ubuntu_1604_changes stable
Name Size Rev Age Author Last Change
../
InternalCoordinates 4e6a60   12 years FrederikHeber Added CoordinatorFactory that returns the correct Coordinator for a …
Particles 35d171   10 years FrederikHeber FIX: Particle lower-cases all but first letter of element name in …
Specifics 7d320c   11 years FrederikHeber MEMFIX: Static coordinator instances of specificv potentials need to …
unittests fdfc52   10 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   10 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 6.4 KB ​ d96482   10 years FrederikHeber Added specialization of RegistrySerializer for Particle. - this also …
PartialNucleiChargeFitter.cpp 13.4 KB ​ 8eafd6   10 years FrederikHeber Fixed typo in PartialNucleiChargeFitter.
PartialNucleiChargeFitter.hpp 5.1 KB ​ f60d95   12 years FrederikHeber PartialNucleiChargeFitter writes potential, solution, and residuum to …
ParticleTypeCheckers.cpp 3.2 KB ​ b760bc3   13 years FrederikHeber Added ParticleTypeChecker functions in own namespace and added checks …
ParticleTypeCheckers.hpp 1.2 KB ​ b760bc3   13 years FrederikHeber Added ParticleTypeChecker functions in own namespace and added checks …
PotentialFactory.cpp 5.2 KB ​ f6abb1   10 years FrederikHeber PotentialFactory now also complies to templated StreamFactory. - this …
PotentialFactory.hpp 1.8 KB ​ f6abb1   10 years FrederikHeber PotentialFactory now also complies to templated StreamFactory. - this …
PotentialRegistry.cpp 1.7 KB ​ 96c7d2   11 years FrederikHeber MEMFIX: PotentialRegistry's dstor forgot cleanup(). - also we purge …
PotentialRegistry.hpp 1.3 KB ​ 96c7d2   11 years FrederikHeber MEMFIX: PotentialRegistry's dstor forgot cleanup(). - also we purge …
PotentialTrainer.cpp 9.5 KB ​ d33f24   9 years FrederikHeber Added additional checks to training data sensibility of PotentialTrainer.
PotentialTrainer.hpp 1.8 KB ​ 945797   9 years FrederikHeber FIX: PotentialTrainer::getFirstGraphwithSpecifiedElements() did not …
RegistryDeserializer.hpp 1.3 KB ​ fde8e7   10 years FrederikHeber Refactored PotentialSerializer and -Deserializer into more general …
RegistryDeserializer_impl.hpp 1.5 KB ​ 0550b6   10 years FrederikHeber RegistryDeserializer stops on curly brackets. - these indicate …
RegistrySerializer.hpp 1.3 KB ​ d96482   10 years FrederikHeber Added specialization of RegistrySerializer for Particle. - this also …
RegistrySerializer_impl.hpp 760 bytes ​ fde8e7   10 years FrederikHeber Refactored PotentialSerializer and -Deserializer into more general …
RegistrySerializer_Particle.cpp 1.9 KB ​ d96482   10 years FrederikHeber Added specialization of RegistrySerializer for Particle. - this also …
SerializablePotential.cpp 6.3 KB ​ fdfc52   10 years FrederikHeber Renamed all SerializablePotential..Exceptions to …
SerializablePotential.hpp 5.4 KB ​ 96c7d2   11 years FrederikHeber MEMFIX: PotentialRegistry's dstor forgot cleanup(). - also we purge …
StreamFactory.hpp 678 bytes ​ 086e30   10 years FrederikHeber Added ParticleFactory and general StreamFactory. - StreamFactory …
StreamFactory_EmpiricalPotential.cpp 1.7 KB ​ f6abb1   10 years FrederikHeber PotentialFactory now also complies to templated StreamFactory. - this …
StreamFactory_EmpiricalPotential.hpp 1.3 KB ​ f6abb1   10 years FrederikHeber PotentialFactory now also complies to templated StreamFactory. - this …
TremoloPotentialFileParser.cpp 5.0 KB ​ a44d70   10 years FrederikHeber Placed all TREMOLO Potential parsing into distinct structure.
TremoloPotentialFileParser.hpp 1.0 KB ​ a44d70   10 years FrederikHeber Placed all TREMOLO Potential parsing into distinct structure.
TremoloPotentialTypes.cpp 3.2 KB ​ afb7c0   10 years FrederikHeber Added TremoloPotentialTypes that contains map on tremolo potential …
TremoloPotentialTypes.hpp 1.9 KB ​ afb7c0   10 years FrederikHeber Added TremoloPotentialTypes that contains map on tremolo potential …
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