nnp::ElementCabana Member List

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

addSymmetryFunction(std::string const &parameters, std::vector< std::string > elementStrings, int attype, t_SF SF, double convLength, h_t_int h_numSFperElem)	nnp::ElementCabana
nnp::Element::addSymmetryFunction(std::string const &parameters, std::size_t const &lineNumber)	nnp::Element
atomicEnergyOffset	nnp::ElementCabana	private
atomicNumber	nnp::ElementCabana	private
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::ElementCabana
clearSymmetryFunctions()	nnp::Element
compareSF(t_SF SF, int attype, int index1, int index2)	nnp::ElementCabana
Element()	nnp::Element	inline
Element(std::size_t const index, ElementMap const &elementMap)	nnp::Element
ElementCabana(std::size_t const index)	nnp::ElementCabana
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(t_SF SF, int attype, h_t_int h_numSFperElem) const	nnp::ElementCabana
nnp::Element::getMaxCutoffRadius() const	nnp::Element
getMinCutoffRadius(t_SF SF, int attype, h_t_int h_numSFperElem) const	nnp::ElementCabana
nnp::Element::getMinCutoffRadius() const	nnp::Element
getMinNeighbors(int attype, t_SF SF, int nSF) const	nnp::ElementCabana
getMinNeighbors(int attype, t_SF SF, int nSF) const	nnp::ElementCabana
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::ElementCabana	private
infoSymmetryFunction(std::size_t index) const	nnp::Element	inline
infoSymmetryFunctionGroups(t_SF SF, t_SFGmemberlist SFGmemberlist, int attype, h_t_int h_numSFGperElem) const	nnp::ElementCabana
infoSymmetryFunctionGroups(t_SF SF, t_SFGmemberlist SFGmemberlist, int attype, h_t_int h_numSFGperElem) const	nnp::ElementCabana
nnp::Element::infoSymmetryFunctionGroups() const	nnp::Element
infoSymmetryFunctionParameters(t_SF SF, int attype, h_t_int h_numSFperElem) const	nnp::ElementCabana
infoSymmetryFunctionParameters(t_SF SF, int attype, h_t_int h_numSFperElem) const	nnp::ElementCabana
nnp::Element::infoSymmetryFunctionParameters() const	nnp::Element
infoSymmetryFunctionScaling(ScalingType scalingType, t_SF SF, t_SFscaling SFscaling, int attype, h_t_int h_numSFperElem) const	nnp::ElementCabana
infoSymmetryFunctionScaling(ScalingType scalingType, t_SF SF, t_SFscaling SFscaling, int attype, h_t_int h_numSFperElem) const	nnp::ElementCabana
nnp::Element::infoSymmetryFunctionScaling() const	nnp::Element
neuralNetworks	nnp::Element
numSymmetryFunctions(int attype, h_t_int h_numSFperElem) const	nnp::ElementCabana	inline
nnp::Element::numSymmetryFunctions() const	nnp::Element	inline
qsigma	nnp::Element	protected
scalingLine(ScalingType scalingType, t_SFscaling SFscaling, int attype, int k) const	nnp::ElementCabana	inline
setAtomicEnergyOffset(double atomicEnergyOffset)	nnp::Element	inline
setCacheIndices(std::vector< std::vector< SFCacheList > > cacheLists)	nnp::Element
setCutoffFunction(CutoffFunction::CutoffType const cutoffType, double const cutoffAlpha, t_SF SF, int attype, h_t_int h_numSFperElem)	nnp::ElementCabana
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(ScalingType scalingType, std::vector< std::string > const &statisticsLine, double minS, double maxS, t_SF SF, t_SFscaling SFscaling, int attype, h_t_int h_numSFperElem) const	nnp::ElementCabana
nnp::Element::setScaling(SymFnc::ScalingType scalingType, std::vector< std::string > const &statisticsLine, double minS, double maxS) const	nnp::Element
setScalingNone() const	nnp::Element
setScalingType(ScalingType scalingType, std::string statisticsLine, double Smin, double Smax, t_SFscaling SFscaling, int attype, int k) const	nnp::ElementCabana	inline
setupSymmetryFunctionGroups(t_SF SF, t_SFGmemberlist SFGmemberlist, int attype, h_t_int h_numSFperElem, h_t_int h_numSFGperElem, int maxSFperElem)	nnp::ElementCabana
nnp::Element::setupSymmetryFunctionGroups()	nnp::Element
setupSymmetryFunctionMemory()	nnp::Element
sortSymmetryFunctions(t_SF SF, h_t_int h_numSFperElem, int attype)	nnp::ElementCabana
nnp::Element::sortSymmetryFunctions()	nnp::Element
statistics	nnp::Element
symbol	nnp::ElementCabana	private
symmetryFunctionGroups	nnp::Element	protected
symmetryFunctionNumTable	nnp::Element	protected
symmetryFunctions	nnp::Element	protected
symmetryFunctionTable	nnp::Element	protected
unscale(int attype, double value, int k, t_SFscaling SFscaling)	nnp::ElementCabana	inline
updateSymmetryFunctionStatistics(Atom const &atom)	nnp::Element
~Element()	nnp::Element	virtual
~ElementCabana()	nnp::ElementCabana