Class List

Here are the classes, structs, unions and interfaces with brief descriptions:

[detail level 1234]

▼NLAMMPS_NS
CFixHDNNP
CKSpaceHDNNP
CPairHDNNP
CPairHDNNP4G
CPairHDNNPDevelop
CPairHDNNPExternal
▼Nnnp
▼Nsettings
CISettings
CKey	Keyword properties
CSettings	Reads and analyzes settings file and stores parameters
▼CAtom	Storage for a single atom
CNeighbor	Struct to store information on neighbor atoms
CCompactFunction	A general function with compact support
CCoreFunction
CCutoffFunction
CDataset	Collect and process large data sets
▼CElement	Contains element-specific data
CSFCacheList	List of symmetry functions corresponding to one cache identifier
CElementCabana	Derived Cabana class for element-specific data
CElementMap	Contains element map
CErfcBuf	Helper class to store previously calculated values of erfc() that are needed during the charge equilibration
CEwaldGlobalSettings
CEwaldParameters
CEwaldSetup	Setup data for Ewald summation
CEwaldStructureData
CEwaldTruncJackson
CEwaldTruncKolafaFixR
CEwaldTruncKolafaOptEta
CGradientDescent	Weight updates based on simple gradient descent methods
CIEwaldTrunc
CInterfaceLammps
CKalmanFilter	Implementation of the Kalman filter method
CKspaceGrid
CKvector
CLog	Logging class for library output
▼CMode	Base class for all NNP applications
▼CNNSetup	Setup data for one neural network
CTopology
CModeCabana	Derived Cabana main NNP class
▼CNeuralNetwork	This class implements a feed-forward neural network
CLayer	One neural network layer
CNeuron	A single neuron
CPrediction
CScreeningFunction	A screening functions for use with electrostatics
CSetupAnalysis
CStopwatch	Implements a simple stopwatch on different platforms
CStructure	Storage for one atomic configuration
CSymFnc	Symmetry function base class
CSymFncBaseComp	Symmetry function base class for SFs with compact support
CSymFncBaseCompAng	Intermediate symmetry function class for angular SFs with compact support
CSymFncBaseCompAngWeighted	Intermediate symmetry function class for weighted angular compact SFs
CSymFncBaseCutoff	Intermediate class for SFs based on cutoff functions
CSymFncBaseExpAng	Intermediate class for angular SFs based on cutoffs and exponentials
CSymFncCompAngn	Narrow angular symmetry function with compact support (type 21)
CSymFncCompAngnWeighted	Weighted narrow angular symmetry function with compact support (type 24)
CSymFncCompAngw	Wide angular symmetry function with compact support (type 22)
CSymFncCompAngwWeighted	Weighted wide angular symmetry function with compact support (type 25)
CSymFncCompRad	Radial symmetry function with compact support (type 20)
CSymFncCompRadWeighted	Weighted radial symmetry function with compact support (type 23)
CSymFncExpAngn	Angular symmetry function (type 3)
CSymFncExpAngnWeighted	Weighted angular symmetry function (type 13)
CSymFncExpAngw	Angular symmetry function (type 9)
CSymFncExpRad	Radial symmetry function (type 2)
CSymFncExpRadWeighted	Weighted radial symmetry function (type 12)
▼CSymFncStatistics
CContainer	Struct containing statistics gathered during symmetry function calculation
CSymGrp
CSymGrpBaseComp
CSymGrpBaseCompAng
CSymGrpBaseCompAngWeighted
CSymGrpBaseCutoff
CSymGrpBaseExpAng
CSymGrpCompAngn	Narrow angular symmetry function with compact support (type 21)
CSymGrpCompAngnWeighted	Weighted narrow angular symmetry function with compact support (type 24)
CSymGrpCompAngw	Wide angular symmetry function with compact support (type 22)
CSymGrpCompAngwWeighted	Weighted wide angular symmetry function with compact support (type 25)
CSymGrpCompRad	Radial symmetry function with compact support (type 20)
CSymGrpCompRadWeighted	Weighted radial symmetry function with compact support (type 23)
CSymGrpExpAngn	Angular symmetry function group (type 3)
CSymGrpExpAngnWeighted	Weighted angular symmetry function group (type 13)
CSymGrpExpAngw	Angular symmetry function group (type 3)
CSymGrpExpRad	Radial symmetry function group (type 2)
CSymGrpExpRadWeighted	Weighted radial symmetry function group (type 12)
▼CTraining	Training methods
CProperty	Specific training quantity (e.g. energies, forces, charges)
CPropertyMap	Map of all training properties
CSubCandidate	Contains update candidate which is grouped with others to specific parent update candidate (e.g
CUpdateCandidate	Contains location of one update candidate (energy or force)
CUpdater	Base class for different weight update methods
CVec3D	Vector in 3 dimensional real space
CFix
CKSpace
CPair