n2p2 - A neural network potential package
- s -
sanityCheck() :
nnp::settings::Settings
scale() :
nnp::ModeCabana< t_device >
,
nnp::SymFnc
scalingLine() :
nnp::ElementCabana
,
nnp::SymFnc
ScreeningFunction() :
nnp::ScreeningFunction
selectSets() :
nnp::Training
sendStructure() :
nnp::Dataset
setAsymmetric() :
nnp::CompactFunction
,
nnp::CoreFunction
setAtomicEnergyOffset() :
nnp::Element
setBoxVectors() :
nnp::InterfaceLammps
setCacheIndices() :
nnp::Element
setCenterWidth() :
nnp::CompactFunction
setCompactFunction() :
nnp::SymFncBaseComp
setConnections() :
nnp::NeuralNetwork
setCoreFunction() :
nnp::CompactFunction
,
nnp::ScreeningFunction
setCutoffFunction() :
nnp::Element
,
nnp::ElementCabana
,
nnp::SymFncBaseCutoff
setCutoffParameter() :
nnp::CutoffFunction
setCutoffRadius() :
nnp::CutoffFunction
setCutoffType() :
nnp::CutoffFunction
setDescription() :
nnp::settings::Key
setElementMap() :
nnp::Structure
setEpochSchedule() :
nnp::Training
setError() :
nnp::GradientDescent
,
nnp::KalmanFilter
,
nnp::Updater
setGlobalStructureStatus() :
nnp::InterfaceLammps
setHardness() :
nnp::Element
setIndex() :
nnp::SymFnc
,
nnp::SymGrp
setIndexPerElement() :
nnp::SymFnc
setInnerOuter() :
nnp::ScreeningFunction
setInput() :
nnp::NeuralNetwork
setJacobian() :
nnp::GradientDescent
,
nnp::KalmanFilter
,
nnp::Updater
setLeftRight() :
nnp::CompactFunction
setLineNumber() :
nnp::SymFnc
setLocalAtomPositions() :
nnp::InterfaceLammps
setLocalAtoms() :
nnp::InterfaceLammps
setLocalTags() :
nnp::InterfaceLammps
setMaxQSigma() :
nnp::EwaldSetup
setNormalizeNeurons() :
nnp::NeuralNetwork
setParameters() :
nnp::SymFnc
,
nnp::SymFncBaseCompAng
,
nnp::SymFncBaseCompAngWeighted
,
nnp::SymFncBaseExpAng
,
nnp::SymFncCompRad
,
nnp::SymFncCompRadWeighted
,
nnp::SymFncExpAngnWeighted
,
nnp::SymFncExpRad
,
nnp::SymFncExpRadWeighted
setParametersAdam() :
nnp::GradientDescent
setParametersFadingMemory() :
nnp::KalmanFilter
setParametersFixed() :
nnp::GradientDescent
setParametersStandard() :
nnp::KalmanFilter
setQsigma() :
nnp::Element
setScaling() :
nnp::Element
,
nnp::ElementCabana
setScalingFactors() :
nnp::SymGrp
,
nnp::SymGrpBaseCompAng
,
nnp::SymGrpBaseCompAngWeighted
,
nnp::SymGrpBaseExpAng
,
nnp::SymGrpCompRad
,
nnp::SymGrpCompRadWeighted
,
nnp::SymGrpExpAngnWeighted
,
nnp::SymGrpExpRad
,
nnp::SymGrpExpRadWeighted
setScalingNone() :
nnp::Element
setScalingType() :
nnp::ElementCabana
,
nnp::SymFnc
setSingleWeight() :
nnp::Training
setSizeObservation() :
nnp::KalmanFilter
setStage() :
nnp::Training
setState() :
nnp::GradientDescent
,
nnp::KalmanFilter
,
nnp::Updater
settings() :
LAMMPS_NS::PairHDNNP
,
LAMMPS_NS::PairHDNNPExternal
settingsGetValue() :
nnp::Mode
settingsKeywordExists() :
nnp::Mode
setTrainingLogFileName() :
nnp::Training
setTruncMethod() :
nnp::EwaldSetup
setType() :
nnp::CoreFunction
setup() :
nnp::KspaceGrid
,
nnp::Prediction
setupCutoff() :
nnp::Mode
setupCutoffMatrix() :
nnp::Mode
setupElectrostatics() :
nnp::Mode
setupElementMap() :
nnp::Mode
,
nnp::ModeCabana< t_device >
setupElements() :
nnp::Mode
,
nnp::ModeCabana< t_device >
setupFileOutput() :
nnp::Training
setupGeneric() :
nnp::Mode
setupMPI() :
nnp::Dataset
setupNeighborCutoffMap() :
nnp::Structure
setupNeuralNetwork() :
nnp::Mode
,
nnp::ModeCabana< t_device >
setupNeuralNetworkWeights() :
nnp::Mode
,
nnp::ModeCabana< t_device >
setupNormalization() :
nnp::Mode
setupNumericDerivCheck() :
nnp::Training
setupRandomNumberGenerator() :
nnp::Dataset
setupSelectionMode() :
nnp::Training
setupSymmetryFunctionCache() :
nnp::Mode
setupSymmetryFunctionGroups() :
nnp::Element
,
nnp::ElementCabana
,
nnp::Mode
,
nnp::ModeCabana< t_device >
setupSymmetryFunctionMemory() :
nnp::Element
,
nnp::Mode
setupSymmetryFunctions() :
nnp::Mode
,
nnp::ModeCabana< t_device >
setupSymmetryFunctionScaling() :
nnp::Mode
,
nnp::ModeCabana< t_device >
setupSymmetryFunctionScalingNone() :
nnp::Mode
setupSymmetryFunctionStatistics() :
nnp::Mode
setupTiming() :
nnp::Updater
setupTraining() :
nnp::Training
setupUpdatePlan() :
nnp::Training
setWeights() :
nnp::Training
shuffleUpdateCandidates() :
nnp::Training
size() :
nnp::ElementMap
sortMembers() :
nnp::SymGrp
,
nnp::SymGrpCompAngn
,
nnp::SymGrpCompAngnWeighted
,
nnp::SymGrpCompAngw
,
nnp::SymGrpCompAngwWeighted
,
nnp::SymGrpCompRad
,
nnp::SymGrpCompRadWeighted
,
nnp::SymGrpExpAngn
,
nnp::SymGrpExpAngnWeighted
,
nnp::SymGrpExpAngw
,
nnp::SymGrpExpRad
,
nnp::SymGrpExpRadWeighted
sortNeighborList() :
nnp::Structure
sortNeighborLists() :
nnp::Dataset
sortSymmetryFunctions() :
nnp::Element
,
nnp::ElementCabana
sortUpdateCandidates() :
nnp::Training
start() :
nnp::Stopwatch
status() :
nnp::GradientDescent
,
nnp::KalmanFilter
,
nnp::Updater
statusHeader() :
nnp::GradientDescent
,
nnp::KalmanFilter
,
nnp::Updater
stop() :
nnp::Stopwatch
stopTime() :
nnp::Stopwatch
Stopwatch() :
nnp::Stopwatch
Structure() :
nnp::Structure
symbol() :
nnp::ElementMap
symbolFromAtomicNumber() :
nnp::ElementMap
SymFnc() :
nnp::SymFnc
SymFncBaseComp() :
nnp::SymFncBaseComp
SymFncBaseCompAng() :
nnp::SymFncBaseCompAng
SymFncBaseCompAngWeighted() :
nnp::SymFncBaseCompAngWeighted
SymFncBaseCutoff() :
nnp::SymFncBaseCutoff
SymFncBaseExpAng() :
nnp::SymFncBaseExpAng
SymFncCompAngn() :
nnp::SymFncCompAngn
SymFncCompAngnWeighted() :
nnp::SymFncCompAngnWeighted
SymFncCompAngw() :
nnp::SymFncCompAngw
SymFncCompAngwWeighted() :
nnp::SymFncCompAngwWeighted
SymFncCompRad() :
nnp::SymFncCompRad
SymFncCompRadWeighted() :
nnp::SymFncCompRadWeighted
SymFncExpAngn() :
nnp::SymFncExpAngn
SymFncExpAngnWeighted() :
nnp::SymFncExpAngnWeighted
SymFncExpAngw() :
nnp::SymFncExpAngw
SymFncExpRad() :
nnp::SymFncExpRad
SymFncExpRadWeighted() :
nnp::SymFncExpRadWeighted
SymFncStatistics() :
nnp::SymFncStatistics
SymGrp() :
nnp::SymGrp
SymGrpBaseComp() :
nnp::SymGrpBaseComp
SymGrpBaseCompAng() :
nnp::SymGrpBaseCompAng
SymGrpBaseCompAngWeighted() :
nnp::SymGrpBaseCompAngWeighted
SymGrpBaseCutoff() :
nnp::SymGrpBaseCutoff
SymGrpBaseExpAng() :
nnp::SymGrpBaseExpAng
SymGrpCompAngn() :
nnp::SymGrpCompAngn
SymGrpCompAngnWeighted() :
nnp::SymGrpCompAngnWeighted
SymGrpCompAngw() :
nnp::SymGrpCompAngw
SymGrpCompAngwWeighted() :
nnp::SymGrpCompAngwWeighted
SymGrpCompRad() :
nnp::SymGrpCompRad
SymGrpCompRadWeighted() :
nnp::SymGrpCompRadWeighted
SymGrpExpAngn() :
nnp::SymGrpExpAngn
SymGrpExpAngnWeighted() :
nnp::SymGrpExpAngnWeighted
SymGrpExpAngw() :
nnp::SymGrpExpAngw
SymGrpExpRad() :
nnp::SymGrpExpRad
SymGrpExpRadWeighted() :
nnp::SymGrpExpRadWeighted
Generated on Sun Nov 24 2024 23:31:49 for n2p2 - A neural network potential package by
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