n2p2 - A neural network potential package
nnp::SymFncExpRad Member List

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

addCacheIndex(std::size_t element, std::size_t cacheIndex, std::string cacheIdentifier)nnp::SymFnc
cacheIndicesnnp::SymFncprotected
calculate(Atom &atom, bool const derivatives) constnnp::SymFncExpRadvirtual
calculateAngularPart(double angle) constnnp::SymFncExpRadvirtual
calculateRadialPart(double distance) constnnp::SymFncExpRadvirtual
changeLengthUnit(double convLength)nnp::SymFncExpRadvirtual
checkRelevantElement(std::size_t index) constnnp::SymFncExpRadvirtual
convLengthnnp::SymFncprotected
cutoffAlphannp::SymFncBaseCutoffprotected
cutoffTypennp::SymFncBaseCutoffprotected
e1nnp::SymFncExpRadprivate
ecnnp::SymFncprotected
elementMapnnp::SymFncprotected
etannp::SymFncExpRadprivate
fcnnp::SymFncBaseCutoffprotected
getCacheIdentifiers() constnnp::SymFncExpRadvirtual
getCacheIndices() constnnp::SymFncinline
getConvLength() constnnp::SymFncinline
getCutoffAlpha() constnnp::SymFncBaseCutoffinline
getCutoffType() constnnp::SymFncBaseCutoffinline
getE1() constnnp::SymFncExpRadinline
getEc() constnnp::SymFncinline
getEta() constnnp::SymFncExpRadinline
getGmax() constnnp::SymFncinline
getGmin() constnnp::SymFncinline
getIndex() constnnp::SymFncinline
getIndexPerElement() constnnp::SymFncinline
getLineNumber() constnnp::SymFncinline
getMinNeighbors() constnnp::SymFncinline
getParameters() constnnp::SymFncinline
getPrintFormat() constnnp::SymFncprotected
getRc() constnnp::SymFncinline
getRs() constnnp::SymFncExpRadinline
getScalingFactor() constnnp::SymFncinline
getSettingsLine() constnnp::SymFncExpRadvirtual
getSubtype() constnnp::SymFncBaseCutoffinline
getType() constnnp::SymFncinline
Gmaxnnp::SymFncprotected
Gmeannnp::SymFncprotected
Gminnnp::SymFncprotected
Gsigmannp::SymFncprotected
indexnnp::SymFncprotected
indexPerElementnnp::SymFncprotected
initializePrintFormat()nnp::SymFncprotectedstatic
initializePrintOrder()nnp::SymFncprotectedstatic
lineNumbernnp::SymFncprotected
minNeighborsnnp::SymFncprotected
operator!=(SymFnc const &rhs) constnnp::SymFncinline
operator<(SymFnc const &rhs) constnnp::SymFncExpRadvirtual
operator<=(SymFnc const &rhs) constnnp::SymFncinline
operator==(SymFnc const &rhs) constnnp::SymFncExpRadvirtual
operator>(SymFnc const &rhs) constnnp::SymFncinline
operator>=(SymFnc const &rhs) constnnp::SymFncinline
parameterInfo() constnnp::SymFncExpRadvirtual
parameterLine() constnnp::SymFncExpRadvirtual
parametersnnp::SymFncprotected
printFormatnnp::SymFncprotectedstatic
PrintFormat typedefnnp::SymFncprotected
PrintOrder typedefnnp::SymFncprotected
printOrdernnp::SymFncprotectedstatic
rcnnp::SymFncprotected
rsnnp::SymFncExpRadprivate
scale(double value) constnnp::SymFnc
scalingFactornnp::SymFncprotected
scalingLine() constnnp::SymFnc
scalingTypennp::SymFncprotected
ScalingType enum namennp::SymFnc
setCutoffFunction(CutoffFunction::CutoffType cutoffType, double cutoffAlpha)nnp::SymFncBaseCutoff
setIndex(std::size_t index)nnp::SymFncinline
setIndexPerElement(std::size_t elementIndex, std::size_t index)nnp::SymFncinline
setLineNumber(std::size_t lineNumber)nnp::SymFncinline
setParameters(std::string const &parameterString)nnp::SymFncExpRadvirtual
setScalingType(ScalingType scalingType, std::string statisticsLine, double Smin, double Smax)nnp::SymFnc
sfinfoWidthnnp::SymFncprotectedstatic
Smaxnnp::SymFncprotected
Sminnnp::SymFncprotected
ST_CENTER enum valuennp::SymFnc
ST_NONE enum valuennp::SymFnc
ST_SCALE enum valuennp::SymFnc
ST_SCALECENTER enum valuennp::SymFnc
ST_SCALESIGMA enum valuennp::SymFnc
subtypennp::SymFncBaseCutoffprotected
SymFnc(std::size_t type, ElementMap const &)nnp::SymFncprotected
SymFncBaseCutoff(std::size_t type, ElementMap const &)nnp::SymFncBaseCutoffprotected
SymFncExpRad(ElementMap const &elementMap)nnp::SymFncExpRad
typennp::SymFncprotected
unscale(double value) constnnp::SymFnc
~SymFnc()nnp::SymFncinlinevirtual