Here is a list of all functions with links to the classes they belong to:
- a -
- add3DVecToArray() : nnp::InterfaceLammps
- addAlternative() : nnp::settings::Key
- addAtom() : nnp::Structure
- addCacheIndex() : nnp::SymFnc
- addCharge() : nnp::InterfaceLammps
- addElectrostaticEnergy() : nnp::InterfaceLammps
- 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
- adjust_gewald() : LAMMPS_NS::KSpaceHDNNP
- advance() : nnp::Training
- allocate() : LAMMPS_NS::KSpaceHDNNP, LAMMPS_NS::PairHDNNP4G, LAMMPS_NS::PairHDNNP, LAMMPS_NS::PairHDNNPExternal, nnp::Atom
- allocate_QEq() : LAMMPS_NS::FixHDNNP
- allocateArrays() : nnp::Training
- allocateLayer() : nnp::NeuralNetwork
- allocateNeighborlists() : nnp::InterfaceLammps
- applyMinimumImageConvention() : nnp::Structure
- Atom() : nnp::Atom
- atomicNumber() : nnp::ElementMap