n2p2 - A neural network potential package
nnp::Element Member List
This is the complete list of members for
nnp::Element
, including all inherited members.
addSymmetryFunction
(std::string const ¶meters, std::size_t const &lineNumber)
nnp::Element
atomicEnergyOffset
nnp::Element
protected
atomicNumber
nnp::Element
protected
cacheLists
nnp::Element
protected
calculateSymmetryFunctionGroups
(Atom &atom, bool const derivatives) const
nnp::Element
calculateSymmetryFunctions
(Atom &atom, bool const derivatives) const
nnp::Element
changeLengthUnitSymmetryFunctions
(double convLength)
nnp::Element
clearSymmetryFunctions
()
nnp::Element
Element
()
nnp::Element
inline
Element
(std::size_t const index, ElementMap const &elementMap)
nnp::Element
elementMap
nnp::Element
protected
getAtomicEnergyOffset
() const
nnp::Element
inline
getAtomicNumber
() const
nnp::Element
inline
getCacheSizes
() const
nnp::Element
getIndex
() const
nnp::Element
inline
getMaxCutoffRadius
() const
nnp::Element
getMinCutoffRadius
() const
nnp::Element
getMinNeighbors
() const
nnp::Element
getSymbol
() const
nnp::Element
inline
getSymmetryFunction
(std::size_t index) const
nnp::Element
inline
getSymmetryFunctionNumTable
() const
nnp::Element
inline
getSymmetryFunctionTable
() const
nnp::Element
inline
index
nnp::Element
protected
infoSymmetryFunction
(std::size_t index) const
nnp::Element
inline
infoSymmetryFunctionGroups
() const
nnp::Element
infoSymmetryFunctionParameters
() const
nnp::Element
infoSymmetryFunctionScaling
() const
nnp::Element
neuralNetworks
nnp::Element
numSymmetryFunctions
() const
nnp::Element
inline
setAtomicEnergyOffset
(double atomicEnergyOffset)
nnp::Element
inline
setCacheIndices
(std::vector< std::vector< SFCacheList > > cacheLists)
nnp::Element
setCutoffFunction
(CutoffFunction::CutoffType const cutoffType, double const cutoffAlpha)
nnp::Element
setScaling
(SymFnc::ScalingType scalingType, std::vector< std::string > const &statisticsLine, double minS, double maxS) const
nnp::Element
setScalingNone
() const
nnp::Element
setupSymmetryFunctionGroups
()
nnp::Element
setupSymmetryFunctionMemory
()
nnp::Element
sortSymmetryFunctions
()
nnp::Element
statistics
nnp::Element
symbol
nnp::Element
protected
symmetryFunctionGroups
nnp::Element
protected
symmetryFunctionNumTable
nnp::Element
protected
symmetryFunctions
nnp::Element
protected
symmetryFunctionTable
nnp::Element
protected
updateSymmetryFunctionStatistics
(Atom const &atom)
nnp::Element
~Element
()
nnp::Element
virtual
Generated on Mon Sep 5 2022 11:10:10 for n2p2 - A neural network potential package by
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