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n2p2 - A neural network potential package
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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
cacheIndices
nnp::SymFnc
protected
calculate
(Atom &atom, bool const derivatives) const =0
nnp::SymFnc
pure virtual
calculateAngularPart
(double angle) const =0
nnp::SymFnc
pure virtual
calculateRadialPart
(double distance) const =0
nnp::SymFnc
pure virtual
changeLengthUnit
(double convLength)=0
nnp::SymFnc
pure virtual
checkRelevantElement
(std::size_t index) const =0
nnp::SymFnc
pure virtual
convLength
nnp::SymFnc
protected
ec
nnp::SymFnc
protected
elementMap
nnp::SymFnc
protected
getCacheIdentifiers
() const
nnp::SymFnc
virtual
getCacheIndices
() const
nnp::SymFnc
inline
getConvLength
() const
nnp::SymFnc
inline
getEc
() const
nnp::SymFnc
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
getScalingFactor
() const
nnp::SymFnc
inline
getSettingsLine
() const =0
nnp::SymFnc
pure virtual
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
protected
static
initializePrintOrder
()
nnp::SymFnc
protected
static
lineNumber
nnp::SymFnc
protected
minNeighbors
nnp::SymFnc
protected
operator!=
(SymFnc const &rhs) const
nnp::SymFnc
inline
operator<
(SymFnc const &rhs) const =0
nnp::SymFnc
pure virtual
operator<=
(SymFnc const &rhs) const
nnp::SymFnc
inline
operator==
(SymFnc const &rhs) const =0
nnp::SymFnc
pure virtual
operator>
(SymFnc const &rhs) const
nnp::SymFnc
inline
operator>=
(SymFnc const &rhs) const
nnp::SymFnc
inline
parameterInfo
() const
nnp::SymFnc
virtual
parameterLine
() const =0
nnp::SymFnc
pure virtual
parameters
nnp::SymFnc
protected
PrintFormat
typedef
nnp::SymFnc
protected
printFormat
nnp::SymFnc
protected
static
PrintOrder
typedef
nnp::SymFnc
protected
printOrder
nnp::SymFnc
protected
static
rc
nnp::SymFnc
protected
scale
(double value) const
nnp::SymFnc
scalingFactor
nnp::SymFnc
protected
scalingLine
() const
nnp::SymFnc
ScalingType
enum name
nnp::SymFnc
scalingType
nnp::SymFnc
protected
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)=0
nnp::SymFnc
pure virtual
setScalingType
(ScalingType scalingType, std::string statisticsLine, double Smin, double Smax)
nnp::SymFnc
sfinfoWidth
nnp::SymFnc
protected
static
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
SymFnc
(std::size_t type, ElementMap const &)
nnp::SymFnc
protected
type
nnp::SymFnc
protected
unscale
(double value) const
nnp::SymFnc
~SymFnc
()
nnp::SymFnc
inline
virtual
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