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

This is the complete list of members for nnp::SymFnc, 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) const =0nnp::SymFncpure virtual
calculateAngularPart(double angle) const =0nnp::SymFncpure virtual
calculateRadialPart(double distance) const =0nnp::SymFncpure virtual
changeLengthUnit(double convLength)=0nnp::SymFncpure virtual
checkRelevantElement(std::size_t index) const =0nnp::SymFncpure virtual
convLengthnnp::SymFncprotected
ecnnp::SymFncprotected
elementMapnnp::SymFncprotected
getCacheIdentifiers() constnnp::SymFncvirtual
getCacheIndices() constnnp::SymFncinline
getConvLength() constnnp::SymFncinline
getEc() constnnp::SymFncinline
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
getScalingFactor() constnnp::SymFncinline
getSettingsLine() const =0nnp::SymFncpure virtual
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) const =0nnp::SymFncpure virtual
operator<=(SymFnc const &rhs) constnnp::SymFncinline
operator==(SymFnc const &rhs) const =0nnp::SymFncpure virtual
operator>(SymFnc const &rhs) constnnp::SymFncinline
operator>=(SymFnc const &rhs) constnnp::SymFncinline
parameterInfo() constnnp::SymFncvirtual
parameterLine() const =0nnp::SymFncpure virtual
parametersnnp::SymFncprotected
PrintFormat typedefnnp::SymFncprotected
printFormatnnp::SymFncprotectedstatic
printOrdernnp::SymFncprotectedstatic
PrintOrder typedefnnp::SymFncprotected
rcnnp::SymFncprotected
scale(double value) constnnp::SymFnc
scalingFactornnp::SymFncprotected
scalingLine() constnnp::SymFnc
scalingTypennp::SymFncprotected
ScalingType enum namennp::SymFnc
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)=0nnp::SymFncpure virtual
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
SymFnc(std::size_t type, ElementMap const &)nnp::SymFncprotected
typennp::SymFncprotected
unscale(double value) constnnp::SymFnc
~SymFnc()nnp::SymFncinlinevirtual