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../
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unittests
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72b6d7
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2 months
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frederik.heber |
SerializablePotential's parameters_t is taken from FunctionModel.
- …
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Specifics
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a0d8aa
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2 months
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frederik.heber |
PotentialFactory exposes particle type numbers.
- Also, potentials …
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Particles
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9eb71b3
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8 years
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frederik.heber |
Commented out MemDebug include and Memory::ignore.
- MemDebug clashes …
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InternalCoordinates
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9eb71b3
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8 years
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frederik.heber |
Commented out MemDebug include and Memory::ignore.
- MemDebug clashes …
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TremoloPotentialTypes.hpp
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1.9 KB
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afb7c0
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9 years
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FrederikHeber |
Added TremoloPotentialTypes that contains map on tremolo potential …
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TremoloPotentialTypes.cpp
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3.2 KB
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9eb71b3
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8 years
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frederik.heber |
Commented out MemDebug include and Memory::ignore.
- MemDebug clashes …
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TremoloPotentialFileParser.hpp
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1.0 KB
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a44d70
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9 years
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FrederikHeber |
Placed all TREMOLO Potential parsing into distinct structure.
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TremoloPotentialFileParser.cpp
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5.0 KB
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9eb71b3
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8 years
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frederik.heber |
Commented out MemDebug include and Memory::ignore.
- MemDebug clashes …
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StreamFactory_EmpiricalPotential.hpp
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1.7 KB
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e83114
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2 months
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frederik.heber |
StreamFactory_EmpiricalPotential creates potential instances with …
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StreamFactory_EmpiricalPotential.cpp
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2.1 KB
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e83114
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2 months
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frederik.heber |
StreamFactory_EmpiricalPotential creates potential instances with …
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StreamFactory.hpp
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678 bytes
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086e30
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9 years
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FrederikHeber |
Added ParticleFactory and general StreamFactory.
- StreamFactory …
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SerializablePotential.hpp
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5.3 KB
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72b6d7
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2 months
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frederik.heber |
SerializablePotential's parameters_t is taken from FunctionModel.
- …
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SerializablePotential.cpp
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6.3 KB
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72b6d7
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2 months
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frederik.heber |
SerializablePotential's parameters_t is taken from FunctionModel.
- …
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RegistrySerializer_Particle.cpp
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1.9 KB
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9eb71b3
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8 years
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frederik.heber |
Commented out MemDebug include and Memory::ignore.
- MemDebug clashes …
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RegistrySerializer_impl.hpp
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762 bytes
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9eb71b3
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8 years
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frederik.heber |
Commented out MemDebug include and Memory::ignore.
- MemDebug clashes …
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RegistrySerializer.hpp
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1.3 KB
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d96482
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9 years
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FrederikHeber |
Added specialization of RegistrySerializer for Particle.
- this also …
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RegistryDeserializer_impl.hpp
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1.6 KB
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9eb71b3
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8 years
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frederik.heber |
Commented out MemDebug include and Memory::ignore.
- MemDebug clashes …
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RegistryDeserializer.hpp
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1.3 KB
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fde8e7
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9 years
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FrederikHeber |
Refactored PotentialSerializer and -Deserializer into more general …
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PotentialTrainer.hpp
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1.8 KB
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82e5fb
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4 years
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frederik.heber |
Added option error-file to fit potential actions.
- DOCU: Added …
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PotentialTrainer.cpp
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10.1 KB
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82e5fb
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4 years
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frederik.heber |
Added option error-file to fit potential actions.
- DOCU: Added …
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PotentialRegistry.hpp
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1.3 KB
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96c7d2
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11 years
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FrederikHeber |
MEMFIX: PotentialRegistry's dstor forgot cleanup().
- also we purge …
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PotentialRegistry.cpp
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1.7 KB
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9eb71b3
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8 years
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frederik.heber |
Commented out MemDebug include and Memory::ignore.
- MemDebug clashes …
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PotentialFactory.hpp
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2.7 KB
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a0d8aa
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2 months
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frederik.heber |
PotentialFactory exposes particle type numbers.
- Also, potentials …
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PotentialFactory.cpp
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6.7 KB
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a0d8aa
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2 months
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frederik.heber |
PotentialFactory exposes particle type numbers.
- Also, potentials …
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ParticleTypeCheckers.hpp
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1.2 KB
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b760bc3
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13 years
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FrederikHeber |
Added ParticleTypeChecker functions in own namespace and added checks …
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ParticleTypeCheckers.cpp
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3.2 KB
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9eb71b3
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8 years
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frederik.heber |
Commented out MemDebug include and Memory::ignore.
- MemDebug clashes …
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PartialNucleiChargeFitter.hpp
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5.1 KB
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f60d95
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12 years
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FrederikHeber |
PartialNucleiChargeFitter writes potential, solution, and residuum to …
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PartialNucleiChargeFitter.cpp
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13.4 KB
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9eb71b3
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8 years
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frederik.heber |
Commented out MemDebug include and Memory::ignore.
- MemDebug clashes …
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Makefile.am
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6.5 KB
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bc069f
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9 years
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FrederikHeber |
Added BindingModel which extends HomologyGraph for an ordered set of …
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helpers.hpp
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2.6 KB
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e1fe7e
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11 years
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FrederikHeber |
FunctionModel now uses list_of_arguments to split sequence of subsets …
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Exceptions.hpp
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1.1 KB
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fdfc52
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9 years
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FrederikHeber |
Renamed all SerializablePotential..Exceptions to …
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EmpiricalPotential.hpp
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3.5 KB
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e83114
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2 months
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frederik.heber |
StreamFactory_EmpiricalPotential creates potential instances with …
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CompoundPotential.hpp
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6.8 KB
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e60558
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9 years
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FrederikHeber |
Extractors require additionally the binding graph of the fragment …
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CompoundPotential.cpp
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18.7 KB
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c98620
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4 years
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frederik.heber |
FIX: StreamFactory did not set BindingModel.
- we streamed into a …
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BindingModel.hpp
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1.9 KB
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c98620
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4 years
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frederik.heber |
FIX: StreamFactory did not set BindingModel.
- we streamed into a …
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BindingModel.cpp
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2.5 KB
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c98620
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4 years
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frederik.heber |
FIX: StreamFactory did not set BindingModel.
- we streamed into a …
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