source: src/Potentials/Specifics@ 96af51

Fix_FitPotential_needs_atomicnumbers
Name Size Rev Age Author Last Change
../
unittests 748fc7   11 years FrederikHeber libMolecuilder is now a shared library. - linking error …
ConstantPotential.cpp 6.1 KB 11bab4   9 years FrederikHeber Extractors now need a subgraph and the set of particle types.
ConstantPotential.hpp 5.8 KB 0b7036   9 years FrederikHeber Added getSubgraph() to all EmpiricalPotentials. - this encodes the …
FourBodyPotential_Improper.cpp 2.7 KB 0b7036   9 years FrederikHeber Added getSubgraph() to all EmpiricalPotentials. - this encodes the …
FourBodyPotential_Improper.hpp 2.7 KB 0b7036   9 years FrederikHeber Added getSubgraph() to all EmpiricalPotentials. - this encodes the …
FourBodyPotential_Torsion.cpp 9.4 KB 0b7036   9 years FrederikHeber Added getSubgraph() to all EmpiricalPotentials. - this encodes the …
FourBodyPotential_Torsion.hpp 6.4 KB 0b7036   9 years FrederikHeber Added getSubgraph() to all EmpiricalPotentials. - this encodes the …
ManyBodyPotential_Tersoff.cpp 23.2 KB 11bab4   9 years FrederikHeber Extractors now need a subgraph and the set of particle types.
ManyBodyPotential_Tersoff.hpp 9.9 KB 0b7036   9 years FrederikHeber Added getSubgraph() to all EmpiricalPotentials. - this encodes the …
PairPotential_Harmonic.cpp 7.4 KB 11bab4   9 years FrederikHeber Extractors now need a subgraph and the set of particle types.
PairPotential_Harmonic.hpp 6.0 KB 0b7036   9 years FrederikHeber Added getSubgraph() to all EmpiricalPotentials. - this encodes the …
PairPotential_LennardJones.cpp 7.4 KB 11bab4   9 years FrederikHeber Extractors now need a subgraph and the set of particle types.
PairPotential_LennardJones.hpp 6.0 KB 0b7036   9 years FrederikHeber Added getSubgraph() to all EmpiricalPotentials. - this encodes the …
PairPotential_Morse.cpp 8.7 KB 11bab4   9 years FrederikHeber Extractors now need a subgraph and the set of particle types.
PairPotential_Morse.hpp 6.0 KB 0b7036   9 years FrederikHeber Added getSubgraph() to all EmpiricalPotentials. - this encodes the …
PotentialTypes.cpp 1.4 KB acc9b1   12 years FrederikHeber FIX: Added new copyright lines to files in src/Potentials, too.
PotentialTypes.def 315 bytes ff90e3   12 years FrederikHeber Renamed potential token harmonic to harmonic_bond.
PotentialTypes.hpp 1.6 KB a86666   13 years FrederikHeber Added PotentialTypes.
PotentialTypes.undef 52 bytes a86666   13 years FrederikHeber Added PotentialTypes.
ThreeBodyPotential_Angle.cpp 8.6 KB 11bab4   9 years FrederikHeber Extractors now need a subgraph and the set of particle types.
ThreeBodyPotential_Angle.hpp 6.2 KB 0b7036   9 years FrederikHeber Added getSubgraph() to all EmpiricalPotentials. - this encodes the …
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