n2p2 - A neural network potential package
- a -
add3DVecToArray() :
nnp::InterfaceLammps
addAlternative() :
nnp::settings::Key
addAtom() :
nnp::Structure
addCacheIndex() :
nnp::SymFnc
addEnergyOffset() :
nnp::Mode
addExtrapolationWarning() :
nnp::SymFncStatistics
addLogEntry() :
nnp::Log
addMember() :
nnp::SymGrp
,
nnp::SymGrpCompAngn
,
nnp::SymGrpCompAngnWeighted
,
nnp::SymGrpCompAngw
,
nnp::SymGrpCompAngwWeighted
,
nnp::SymGrpCompRad
,
nnp::SymGrpCompRadWeighted
,
nnp::SymGrpExpAngn
,
nnp::SymGrpExpAngnWeighted
,
nnp::SymGrpExpAngw
,
nnp::SymGrpExpRad
,
nnp::SymGrpExpRadWeighted
addMultipleLogEntries() :
nnp::Log
addNeighbor() :
nnp::InterfaceLammps
addSymmetryFunction() :
nnp::Element
,
nnp::ElementCabana
addTrainingLogEntry() :
nnp::Training
addValue() :
nnp::SymFncStatistics
advance() :
nnp::Training
allocate() :
LAMMPS_NS::PairHDNNP
,
LAMMPS_NS::PairHDNNPExternal
,
nnp::Atom
allocateArrays() :
nnp::Training
allocateLayer() :
nnp::NeuralNetwork
allocateNeighborlists() :
nnp::InterfaceLammps
applyMinimumImageConvention() :
nnp::Structure
Atom() :
nnp::Atom
atomicNumber() :
nnp::ElementMap
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