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../
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unittests
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748fc7
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11 years
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FrederikHeber |
libMolecuilder is now a shared library.
- linking error …
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Specifics
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7d320c
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11 years
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FrederikHeber |
MEMFIX: Static coordinator instances of specificv potentials need to …
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Particles
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ff09f3
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12 years
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FrederikHeber |
Added Particle and ParticleRegistry class.
- Paricle class contains …
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InternalCoordinates
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4e6a60
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12 years
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FrederikHeber |
Added CoordinatorFactory that returns the correct Coordinator for a …
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SerializablePotential.hpp
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5.4 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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SerializablePotential.cpp
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6.4 KB
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c5e63a
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12 years
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FrederikHeber |
Added De(serializer) functors for instanting potentials from stream info.
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PotentialTrainer.hpp
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1.1 KB
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0ea063
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11 years
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FrederikHeber |
Extracted SavePotentialsAction.
- PotentialTrainer::StorePotentials …
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PotentialTrainer.cpp
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8.0 KB
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e63edb
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11 years
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FrederikHeber |
MEMFIX: PotentialTrainer::getFirstGraphwithSpecifiedElements() used …
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PotentialSerializer.hpp
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736 bytes
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c5e63a
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12 years
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FrederikHeber |
Added De(serializer) functors for instanting potentials from stream info.
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PotentialSerializer.cpp
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1.7 KB
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c5e63a
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12 years
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FrederikHeber |
Added De(serializer) functors for instanting potentials from stream info.
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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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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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PotentialFactory.hpp
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1.7 KB
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b3b31e
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12 years
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FrederikHeber |
Added PotentialFactory::createInstance() that uses default cstors.
- …
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PotentialFactory.cpp
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5.1 KB
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ff90e3
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12 years
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FrederikHeber |
Renamed potential token harmonic to harmonic_bond.
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PotentialDeserializer.hpp
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707 bytes
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c5e63a
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12 years
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FrederikHeber |
Added De(serializer) functors for instanting potentials from stream info.
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PotentialDeserializer.cpp
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2.2 KB
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c5e63a
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12 years
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FrederikHeber |
Added De(serializer) functors for instanting potentials from stream info.
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ParticleTypeCheckers.hpp
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1.2 KB
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b760bc3
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12 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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b760bc3
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12 years
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FrederikHeber |
Added ParticleTypeChecker functions in own namespace and added checks …
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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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6b3e5e
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11 years
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FrederikHeber |
MEMFIX: PartialNucleiChargeFitter lost memory.
- operator() and …
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Makefile.am
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5.9 KB
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423449
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11 years
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FrederikHeber |
DISTFIX: POTENTIALSOURCES was overwritten, not added to.
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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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1.2 KB
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6efcae
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12 years
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FrederikHeber |
SerializablePotential is new type to be stored in PotentialRegistry.
…
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EmpiricalPotential.hpp
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2.7 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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CompoundPotential.hpp
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6.7 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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CompoundPotential.cpp
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18.5 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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