source: src/Potentials@ 96af51

Fix_FitPotential_needs_atomicnumbers
Name Size Rev Age Author Last Change
../
unittests fdfc52   10 years FrederikHeber Renamed all SerializablePotential..Exceptions to …
Specifics 11bab4   9 years FrederikHeber Extractors now need a subgraph and the set of particle types.
Particles bcf351   9 years FrederikHeber MEMFIX: ParticleRegistry did not cleanup on dstor.
InternalCoordinates 4e6a60   12 years FrederikHeber Added CoordinatorFactory that returns the correct Coordinator for a …
TremoloPotentialTypes.hpp 1.9 KB afb7c0   10 years FrederikHeber Added TremoloPotentialTypes that contains map on tremolo potential …
TremoloPotentialTypes.cpp 3.2 KB afb7c0   10 years FrederikHeber Added TremoloPotentialTypes that contains map on tremolo potential …
TremoloPotentialFileParser.hpp 1.0 KB a44d70   10 years FrederikHeber Placed all TREMOLO Potential parsing into distinct structure.
TremoloPotentialFileParser.cpp 5.0 KB a44d70   10 years FrederikHeber Placed all TREMOLO Potential parsing into distinct structure.
StreamFactory_EmpiricalPotential.hpp 1.3 KB f6abb1   10 years FrederikHeber PotentialFactory now also complies to templated StreamFactory. - this …
StreamFactory_EmpiricalPotential.cpp 1.7 KB f6abb1   10 years FrederikHeber PotentialFactory now also complies to templated StreamFactory. - this …
StreamFactory.hpp 678 bytes 086e30   10 years FrederikHeber Added ParticleFactory and general StreamFactory. - StreamFactory
SerializablePotential.hpp 5.4 KB be20db   9 years FrederikHeber ParticleType_t is now an unsigned int. - this allows direct use of …
SerializablePotential.cpp 6.3 KB fdfc52   10 years FrederikHeber Renamed all SerializablePotential..Exceptions to …
RegistrySerializer_Particle.cpp 1.9 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.hpp 1.3 KB d96482   10 years FrederikHeber Added specialization of RegistrySerializer for Particle. - this also …
RegistryDeserializer_impl.hpp 1.6 KB 2a28cd   9 years FrederikHeber FIX: RegistryDeserializer stumbled over comments.
RegistryDeserializer.hpp 1.3 KB fde8e7   10 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 9.3 KB be20db   9 years FrederikHeber ParticleType_t is now an unsigned int. - this allows direct use of …
PotentialRegistry.hpp 1.3 KB 96c7d2   11 years FrederikHeber MEMFIX: PotentialRegistry's dstor forgot cleanup(). - also we purge …
PotentialRegistry.cpp 1.7 KB 96c7d2   11 years FrederikHeber MEMFIX: PotentialRegistry's dstor forgot cleanup(). - also we purge …
PotentialFactory.hpp 1.8 KB f6abb1   10 years FrederikHeber PotentialFactory now also complies to templated StreamFactory. - this …
PotentialFactory.cpp 5.2 KB f6abb1   10 years FrederikHeber PotentialFactory now also complies to templated StreamFactory. - this …
ParticleTypeCheckers.hpp 1.2 KB b760bc3   13 years FrederikHeber Added ParticleTypeChecker functions in own namespace and added checks …
ParticleTypeCheckers.cpp 3.2 KB b760bc3   13 years FrederikHeber Added ParticleTypeChecker functions in own namespace and added checks …
PartialNucleiChargeFitter.hpp 5.1 KB f60d95   12 years FrederikHeber PartialNucleiChargeFitter writes potential, solution, and residuum to …
PartialNucleiChargeFitter.cpp 13.4 KB e51f2c   9 years FrederikHeber Renamed SamplingGrid::getDiscreteWindowIndices() -> ::..WindowCopyIndies().
Makefile.am 6.5 KB 6d08032   9 years FrederikHeber tempcommit: Replaced boost::adjacency_list by PotentialSubgraph.
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   10 years FrederikHeber Renamed all SerializablePotential..Exceptions to …
EmpiricalPotential.hpp 2.9 KB 0b7036   9 years FrederikHeber Added getSubgraph() to all EmpiricalPotentials. - this encodes the …
CompoundPotential.hpp 6.7 KB e1fe7e   11 years FrederikHeber FunctionModel now uses list_of_arguments to split sequence of subsets …
CompoundPotential.cpp 18.3 KB be20db   9 years FrederikHeber ParticleType_t is now an unsigned int. - this allows direct use of …
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