nnp::Element Member List

This is the complete list of members for nnp::Element, including all inherited members.

addSymmetryFunction(std::string const &parameters, 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
getCutoffRadii(std::vector< double > &cutoffs) const	nnp::Element
getHardness() const	nnp::Element	inline
getIndex() const	nnp::Element	inline
getMaxCutoffRadius() const	nnp::Element
getMinCutoffRadius() const	nnp::Element
getMinNeighbors() const	nnp::Element
getQsigma() const	nnp::Element	inline
getSymbol() const	nnp::Element	inline
getSymmetryFunction(std::size_t index) const	nnp::Element	inline
getSymmetryFunctionNumTable() const	nnp::Element	inline
getSymmetryFunctionTable() const	nnp::Element	inline
hardness	nnp::Element	protected
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
qsigma	nnp::Element	protected
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
setHardness(double hardness)	nnp::Element	inline
setQsigma(double qsigma)	nnp::Element	inline
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