addCacheIndex(std::size_t element, std::size_t cacheIndex, std::string cacheIdentifier) | nnp::SymFnc | |
cacheIndices | nnp::SymFnc | protected |
calculate(Atom &atom, bool const derivatives) const | nnp::SymFncExpRadWeighted | virtual |
calculateAngularPart(double angle) const | nnp::SymFncExpRadWeighted | virtual |
calculateRadialPart(double distance) const | nnp::SymFncExpRadWeighted | virtual |
changeLengthUnit(double convLength) | nnp::SymFncExpRadWeighted | virtual |
checkRelevantElement(std::size_t index) const | nnp::SymFncExpRadWeighted | virtual |
convLength | nnp::SymFnc | protected |
cutoffAlpha | nnp::SymFncBaseCutoff | protected |
cutoffType | nnp::SymFncBaseCutoff | protected |
ec | nnp::SymFnc | protected |
elementMap | nnp::SymFnc | protected |
eta | nnp::SymFncExpRadWeighted | private |
fc | nnp::SymFncBaseCutoff | protected |
getCacheIdentifiers() const | nnp::SymFncExpRadWeighted | virtual |
getCacheIndices() const | nnp::SymFnc | inline |
getConvLength() const | nnp::SymFnc | inline |
getCutoffAlpha() const | nnp::SymFncBaseCutoff | inline |
getCutoffType() const | nnp::SymFncBaseCutoff | inline |
getEc() const | nnp::SymFnc | inline |
getEta() const | nnp::SymFncExpRadWeighted | inline |
getGmax() const | nnp::SymFnc | inline |
getGmin() const | nnp::SymFnc | inline |
getIndex() const | nnp::SymFnc | inline |
getIndexPerElement() const | nnp::SymFnc | inline |
getLineNumber() const | nnp::SymFnc | inline |
getMinNeighbors() const | nnp::SymFnc | inline |
getParameters() const | nnp::SymFnc | inline |
getPrintFormat() const | nnp::SymFnc | protected |
getRc() const | nnp::SymFnc | inline |
getRs() const | nnp::SymFncExpRadWeighted | inline |
getScalingFactor() const | nnp::SymFnc | inline |
getSettingsLine() const | nnp::SymFncExpRadWeighted | virtual |
getSubtype() const | nnp::SymFncBaseCutoff | inline |
getType() const | nnp::SymFnc | inline |
Gmax | nnp::SymFnc | protected |
Gmean | nnp::SymFnc | protected |
Gmin | nnp::SymFnc | protected |
Gsigma | nnp::SymFnc | protected |
index | nnp::SymFnc | protected |
indexPerElement | nnp::SymFnc | protected |
initializePrintFormat() | nnp::SymFnc | protectedstatic |
initializePrintOrder() | nnp::SymFnc | protectedstatic |
lineNumber | nnp::SymFnc | protected |
minNeighbors | nnp::SymFnc | protected |
operator!=(SymFnc const &rhs) const | nnp::SymFnc | inline |
operator<(SymFnc const &rhs) const | nnp::SymFncExpRadWeighted | virtual |
operator<=(SymFnc const &rhs) const | nnp::SymFnc | inline |
operator==(SymFnc const &rhs) const | nnp::SymFncExpRadWeighted | virtual |
operator>(SymFnc const &rhs) const | nnp::SymFnc | inline |
operator>=(SymFnc const &rhs) const | nnp::SymFnc | inline |
parameterInfo() const | nnp::SymFncExpRadWeighted | virtual |
parameterLine() const | nnp::SymFncExpRadWeighted | virtual |
parameters | nnp::SymFnc | protected |
printFormat | nnp::SymFnc | protectedstatic |
PrintFormat typedef | nnp::SymFnc | protected |
PrintOrder typedef | nnp::SymFnc | protected |
printOrder | nnp::SymFnc | protectedstatic |
rc | nnp::SymFnc | protected |
rs | nnp::SymFncExpRadWeighted | private |
scale(double value) const | nnp::SymFnc | |
scalingFactor | nnp::SymFnc | protected |
scalingLine() const | nnp::SymFnc | |
scalingType | nnp::SymFnc | protected |
ScalingType enum name | nnp::SymFnc | |
setCutoffFunction(CutoffFunction::CutoffType cutoffType, double cutoffAlpha) | nnp::SymFncBaseCutoff | |
setIndex(std::size_t index) | nnp::SymFnc | inline |
setIndexPerElement(std::size_t elementIndex, std::size_t index) | nnp::SymFnc | inline |
setLineNumber(std::size_t lineNumber) | nnp::SymFnc | inline |
setParameters(std::string const ¶meterString) | nnp::SymFncExpRadWeighted | virtual |
setScalingType(ScalingType scalingType, std::string statisticsLine, double Smin, double Smax) | nnp::SymFnc | |
sfinfoWidth | nnp::SymFnc | protectedstatic |
Smax | nnp::SymFnc | protected |
Smin | nnp::SymFnc | protected |
ST_CENTER enum value | nnp::SymFnc | |
ST_NONE enum value | nnp::SymFnc | |
ST_SCALE enum value | nnp::SymFnc | |
ST_SCALECENTER enum value | nnp::SymFnc | |
ST_SCALESIGMA enum value | nnp::SymFnc | |
subtype | nnp::SymFncBaseCutoff | protected |
SymFnc(std::size_t type, ElementMap const &) | nnp::SymFnc | protected |
SymFncBaseCutoff(std::size_t type, ElementMap const &) | nnp::SymFncBaseCutoff | protected |
SymFncExpRadWeighted(ElementMap const &elementMap) | nnp::SymFncExpRadWeighted | |
type | nnp::SymFnc | protected |
unscale(double value) const | nnp::SymFnc | |
~SymFnc() | nnp::SymFnc | inlinevirtual |