source: src/Potentials@ 1ca493a

Candidate_v1.7.0 stable
Name Size Rev Age Author Last Change
../
unittests 9eb71b3   8 years frederik.heber Commented out MemDebug include and Memory::ignore. - MemDebug clashes …
Specifics 9eb71b3   8 years frederik.heber Commented out MemDebug include and Memory::ignore. - MemDebug clashes …
Particles 9eb71b3   8 years frederik.heber Commented out MemDebug include and Memory::ignore. - MemDebug clashes …
InternalCoordinates 9eb71b3   8 years frederik.heber Commented out MemDebug include and Memory::ignore. - MemDebug clashes …
TremoloPotentialTypes.hpp 1.9 KB ​ afb7c0   9 years FrederikHeber Added TremoloPotentialTypes that contains map on tremolo potential …
TremoloPotentialTypes.cpp 3.2 KB ​ 9eb71b3   8 years frederik.heber Commented out MemDebug include and Memory::ignore. - MemDebug clashes …
TremoloPotentialFileParser.hpp 1.0 KB ​ a44d70   9 years FrederikHeber Placed all TREMOLO Potential parsing into distinct structure.
TremoloPotentialFileParser.cpp 5.0 KB ​ 9eb71b3   8 years frederik.heber Commented out MemDebug include and Memory::ignore. - MemDebug clashes …
StreamFactory_EmpiricalPotential.hpp 1.3 KB ​ f6abb1   9 years FrederikHeber PotentialFactory now also complies to templated StreamFactory. - this …
StreamFactory_EmpiricalPotential.cpp 1.7 KB ​ 9eb71b3   8 years frederik.heber Commented out MemDebug include and Memory::ignore. - MemDebug clashes …
StreamFactory.hpp 678 bytes ​ 086e30   9 years FrederikHeber Added ParticleFactory and general StreamFactory. - StreamFactory …
SerializablePotential.hpp 5.4 KB ​ c5e75f3   9 years FrederikHeber ParticleType_t is now an unsigned int. - this allows direct use of …
SerializablePotential.cpp 6.3 KB ​ 9eb71b3   8 years frederik.heber Commented out MemDebug include and Memory::ignore. - MemDebug clashes …
RegistrySerializer_Particle.cpp 1.9 KB ​ 9eb71b3   8 years frederik.heber Commented out MemDebug include and Memory::ignore. - MemDebug clashes …
RegistrySerializer_impl.hpp 762 bytes ​ 9eb71b3   8 years frederik.heber Commented out MemDebug include and Memory::ignore. - MemDebug clashes …
RegistrySerializer.hpp 1.3 KB ​ d96482   9 years FrederikHeber Added specialization of RegistrySerializer for Particle. - this also …
RegistryDeserializer_impl.hpp 1.6 KB ​ 9eb71b3   8 years frederik.heber Commented out MemDebug include and Memory::ignore. - MemDebug clashes …
RegistryDeserializer.hpp 1.3 KB ​ fde8e7   9 years FrederikHeber Refactored PotentialSerializer and -Deserializer into more general …
PotentialTrainer.hpp 1.8 KB ​ 945797   9 years FrederikHeber FIX: PotentialTrainer::getFirstGraphwithSpecifiedElements() did not …
PotentialTrainer.cpp 9.2 KB ​ 9eb71b3   8 years frederik.heber Commented out MemDebug include and Memory::ignore. - MemDebug clashes …
PotentialRegistry.hpp 1.3 KB ​ 96c7d2   11 years FrederikHeber MEMFIX: PotentialRegistry's dstor forgot cleanup(). - also we purge …
PotentialRegistry.cpp 1.7 KB ​ 9eb71b3   8 years frederik.heber Commented out MemDebug include and Memory::ignore. - MemDebug clashes …
PotentialFactory.hpp 1.8 KB ​ f6abb1   9 years FrederikHeber PotentialFactory now also complies to templated StreamFactory. - this …
PotentialFactory.cpp 5.2 KB ​ 9eb71b3   8 years frederik.heber Commented out MemDebug include and Memory::ignore. - MemDebug clashes …
ParticleTypeCheckers.hpp 1.2 KB ​ b760bc3   13 years FrederikHeber Added ParticleTypeChecker functions in own namespace and added checks …
ParticleTypeCheckers.cpp 3.2 KB ​ 9eb71b3   8 years frederik.heber Commented out MemDebug include and Memory::ignore. - MemDebug clashes …
PartialNucleiChargeFitter.hpp 5.1 KB ​ f60d95   12 years FrederikHeber PartialNucleiChargeFitter writes potential, solution, and residuum to …
PartialNucleiChargeFitter.cpp 13.4 KB ​ 9eb71b3   8 years frederik.heber Commented out MemDebug include and Memory::ignore. - MemDebug clashes …
Makefile.am 6.5 KB ​ bc069f   9 years FrederikHeber Added BindingModel which extends HomologyGraph for an ordered set of …
helpers.hpp 2.6 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 …
EmpiricalPotential.hpp 2.9 KB ​ 9c793c   9 years FrederikHeber All ..Potentials now return BindingModel instead of HomologyGraph, …
CompoundPotential.hpp 6.8 KB ​ e60558   9 years FrederikHeber Extractors require additionally the binding graph of the fragment …
CompoundPotential.cpp 18.4 KB ​ 9eb71b3   8 years frederik.heber Commented out MemDebug include and Memory::ignore. - MemDebug clashes …
BindingModel.hpp 1.6 KB ​ bc069f   9 years FrederikHeber Added BindingModel which extends HomologyGraph for an ordered set of …
BindingModel.cpp 1.7 KB ​ 9eb71b3   8 years frederik.heber Commented out MemDebug include and Memory::ignore. - MemDebug clashes …
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