n2p2 - A neural network potential package
Class List
Here are the classes, structs, unions and interfaces with brief descriptions:
[detail level 1234]
 NLAMMPS_NS
 CPairHDNNP
 CPairHDNNPDevelop
 CPairHDNNPExternal
 Nnnp
 Nsettings
 CISettings
 CKeyKeyword properties
 CSettingsReads and analyzes settings file and stores parameters
 CAtomStorage for a single atom
 CNeighborStruct to store information on neighbor atoms
 CCompactFunctionA general function with compact support
 CCoreFunction
 CCutoffFunction
 CDatasetCollect and process large data sets
 CElementContains element-specific data
 CSFCacheListList of symmetry functions corresponding to one cache identifier
 CElementCabanaDerived Cabana class for element-specific data
 CElementMapContains element map
 CErfcBufHelper class to store previously calculated values of erfc() that are needed during the charge equilibration
 CEwaldGlobalSettings
 CEwaldParameters
 CEwaldSetupSetup data for Ewald summation
 CEwaldStructureData
 CEwaldTruncJackson
 CEwaldTruncKolafaFixR
 CEwaldTruncKolafaOptEta
 CGradientDescentWeight updates based on simple gradient descent methods
 CIEwaldTrunc
 CInterfaceLammps
 CKalmanFilterImplementation of the Kalman filter method
 CKspaceGrid
 CKvector
 CLogLogging class for library output
 CModeBase class for all NNP applications
 CNNSetupSetup data for one neural network
 CTopology
 CModeCabanaDerived Cabana main NNP class
 CNeuralNetworkThis class implements a feed-forward neural network
 CLayerOne neural network layer
 CNeuronA single neuron
 CPrediction
 CScreeningFunctionA screening functions for use with electrostatics
 CSetupAnalysis
 CStopwatchImplements a simple stopwatch on different platforms
 CStructureStorage for one atomic configuration
 CSymFncSymmetry function base class
 CSymFncBaseCompSymmetry function base class for SFs with compact support
 CSymFncBaseCompAngIntermediate symmetry function class for angular SFs with compact support
 CSymFncBaseCompAngWeightedIntermediate symmetry function class for weighted angular compact SFs
 CSymFncBaseCutoffIntermediate class for SFs based on cutoff functions
 CSymFncBaseExpAngIntermediate class for angular SFs based on cutoffs and exponentials
 CSymFncCompAngnNarrow angular symmetry function with compact support (type 21)
 CSymFncCompAngnWeightedWeighted narrow angular symmetry function with compact support (type 24)
 CSymFncCompAngwWide angular symmetry function with compact support (type 22)
 CSymFncCompAngwWeightedWeighted wide angular symmetry function with compact support (type 25)
 CSymFncCompRadRadial symmetry function with compact support (type 20)
 CSymFncCompRadWeightedWeighted radial symmetry function with compact support (type 23)
 CSymFncExpAngnAngular symmetry function (type 3)
 CSymFncExpAngnWeightedWeighted angular symmetry function (type 13)
 CSymFncExpAngwAngular symmetry function (type 9)
 CSymFncExpRadRadial symmetry function (type 2)
 CSymFncExpRadWeightedWeighted radial symmetry function (type 12)
 CSymFncStatistics
 CContainerStruct containing statistics gathered during symmetry function calculation
 CSymGrp
 CSymGrpBaseComp
 CSymGrpBaseCompAng
 CSymGrpBaseCompAngWeighted
 CSymGrpBaseCutoff
 CSymGrpBaseExpAng
 CSymGrpCompAngnNarrow angular symmetry function with compact support (type 21)
 CSymGrpCompAngnWeightedWeighted narrow angular symmetry function with compact support (type 24)
 CSymGrpCompAngwWide angular symmetry function with compact support (type 22)
 CSymGrpCompAngwWeightedWeighted wide angular symmetry function with compact support (type 25)
 CSymGrpCompRadRadial symmetry function with compact support (type 20)
 CSymGrpCompRadWeightedWeighted radial symmetry function with compact support (type 23)
 CSymGrpExpAngnAngular symmetry function group (type 3)
 CSymGrpExpAngnWeightedWeighted angular symmetry function group (type 13)
 CSymGrpExpAngwAngular symmetry function group (type 3)
 CSymGrpExpRadRadial symmetry function group (type 2)
 CSymGrpExpRadWeightedWeighted radial symmetry function group (type 12)
 CTrainingTraining methods
 CPropertySpecific training quantity (e.g. energies, forces, charges)
 CPropertyMapMap of all training properties
 CSubCandidateContains update candidate which is grouped with others to specific parent update candidate (e.g
 CUpdateCandidateContains location of one update candidate (energy or force)
 CUpdaterBase class for different weight update methods
 CVec3DVector in 3 dimensional real space
 CPair