Class Hierarchy

Go to the graphical class hierarchy

This inheritance list is sorted roughly, but not completely, alphabetically:

[detail level 1234]

Cnnp::Atom	Storage for a single atom
Cnnp::CompactFunction	A general function with compact support
Cnnp::SymFncStatistics::Container	Struct containing statistics gathered during symmetry function calculation
Cnnp::CoreFunction
Cnnp::CutoffFunction
▼Cnnp::Element	Contains element-specific data
Cnnp::ElementCabana	Derived Cabana class for element-specific data
Cnnp::ElementMap	Contains element map
Cnnp::ErfcBuf	Helper class to store previously calculated values of erfc() that are needed during the charge equilibration
Cnnp::EwaldGlobalSettings
Cnnp::EwaldParameters
Cnnp::EwaldSetup	Setup data for Ewald summation
Cnnp::EwaldStructureData
▼CFix
CLAMMPS_NS::FixHDNNP
▼Cnnp::IEwaldTrunc
Cnnp::EwaldTruncJackson
Cnnp::EwaldTruncKolafaFixR
Cnnp::EwaldTruncKolafaOptEta
▼Cnnp::settings::ISettings
Cnnp::settings::Settings	Reads and analyzes settings file and stores parameters
Cnnp::settings::Key	Keyword properties
▼CKSpace
CLAMMPS_NS::KSpaceHDNNP
Cnnp::KspaceGrid
Cnnp::Kvector
Cnnp::NeuralNetwork::Layer	One neural network layer
Cnnp::Log	Logging class for library output
▼Cstd::map< K, T >	STL class
Cnnp::Training::PropertyMap	Map of all training properties
▼Cnnp::Mode	Base class for all NNP applications
▼Cnnp::Dataset	Collect and process large data sets
Cnnp::Training	Training methods
Cnnp::InterfaceLammps
Cnnp::ModeCabana< t_device >	Derived Cabana main NNP class
Cnnp::Prediction
Cnnp::SetupAnalysis
Cnnp::Atom::Neighbor	Struct to store information on neighbor atoms
Cnnp::NeuralNetwork	This class implements a feed-forward neural network
Cnnp::NeuralNetwork::Neuron	A single neuron
Cnnp::Mode::NNSetup	Setup data for one neural network
▼CPair
▼CLAMMPS_NS::PairHDNNP
CLAMMPS_NS::PairHDNNPDevelop
CLAMMPS_NS::PairHDNNP4G
CLAMMPS_NS::PairHDNNPExternal
Cnnp::Training::Property	Specific training quantity (e.g. energies, forces, charges)
Cnnp::ScreeningFunction	A screening functions for use with electrostatics
Cnnp::Element::SFCacheList	List of symmetry functions corresponding to one cache identifier
Cnnp::Stopwatch	Implements a simple stopwatch on different platforms
Cnnp::Structure	Storage for one atomic configuration
Cnnp::Training::SubCandidate	Contains update candidate which is grouped with others to specific parent update candidate (e.g
▼Cnnp::SymFnc	Symmetry function base class
▼Cnnp::SymFncBaseComp	Symmetry function base class for SFs with compact support
▼Cnnp::SymFncBaseCompAng	Intermediate symmetry function class for angular SFs with compact support
Cnnp::SymFncCompAngn	Narrow angular symmetry function with compact support (type 21)
Cnnp::SymFncCompAngw	Wide angular symmetry function with compact support (type 22)
▼Cnnp::SymFncBaseCompAngWeighted	Intermediate symmetry function class for weighted angular compact SFs
Cnnp::SymFncCompAngnWeighted	Weighted narrow angular symmetry function with compact support (type 24)
Cnnp::SymFncCompAngwWeighted	Weighted wide angular symmetry function with compact support (type 25)
Cnnp::SymFncCompRad	Radial symmetry function with compact support (type 20)
Cnnp::SymFncCompRadWeighted	Weighted radial symmetry function with compact support (type 23)
▼Cnnp::SymFncBaseCutoff	Intermediate class for SFs based on cutoff functions
▼Cnnp::SymFncBaseExpAng	Intermediate class for angular SFs based on cutoffs and exponentials
Cnnp::SymFncExpAngn	Angular symmetry function (type 3)
Cnnp::SymFncExpAngw	Angular symmetry function (type 9)
Cnnp::SymFncExpAngnWeighted	Weighted angular symmetry function (type 13)
Cnnp::SymFncExpRad	Radial symmetry function (type 2)
Cnnp::SymFncExpRadWeighted	Weighted radial symmetry function (type 12)
Cnnp::SymFncStatistics
▼Cnnp::SymGrp
▼Cnnp::SymGrpBaseComp
▼Cnnp::SymGrpBaseCompAng
Cnnp::SymGrpCompAngn	Narrow angular symmetry function with compact support (type 21)
Cnnp::SymGrpCompAngw	Wide angular symmetry function with compact support (type 22)
▼Cnnp::SymGrpBaseCompAngWeighted
Cnnp::SymGrpCompAngnWeighted	Weighted narrow angular symmetry function with compact support (type 24)
Cnnp::SymGrpCompAngwWeighted	Weighted wide angular symmetry function with compact support (type 25)
Cnnp::SymGrpCompRad	Radial symmetry function with compact support (type 20)
Cnnp::SymGrpCompRadWeighted	Weighted radial symmetry function with compact support (type 23)
▼Cnnp::SymGrpBaseCutoff
▼Cnnp::SymGrpBaseExpAng
Cnnp::SymGrpExpAngn	Angular symmetry function group (type 3)
Cnnp::SymGrpExpAngw	Angular symmetry function group (type 3)
Cnnp::SymGrpExpAngnWeighted	Weighted angular symmetry function group (type 13)
Cnnp::SymGrpExpRad	Radial symmetry function group (type 2)
Cnnp::SymGrpExpRadWeighted	Weighted radial symmetry function group (type 12)
Cnnp::Mode::NNSetup::Topology
Cnnp::Training::UpdateCandidate	Contains location of one update candidate (energy or force)
▼Cnnp::Updater	Base class for different weight update methods
Cnnp::GradientDescent	Weight updates based on simple gradient descent methods
Cnnp::KalmanFilter	Implementation of the Kalman filter method
Cnnp::Vec3D	Vector in 3 dimensional real space