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EMTDefaultParameterProvider Class Reference

#include <EMTDefaultParameterProvider.h>

Inheritance diagram for EMTDefaultParameterProvider:

Public Member Functions

 EMTDefaultParameterProvider ()
virtual ~EMTDefaultParameterProvider ()
virtual const emt_parameters * GetParameters (int element)
virtual void CalcGammaEtc ()
virtual double GetCutoffDistance ()
virtual double GetListCutoffDistance ()
virtual double GetCutoffSlope ()
virtual double GetLengthScale ()
virtual int GetNumberOfElements ()
virtual const TinyDoubleMatrix * GetChi ()
virtual void Debug ()
Public Member Functions inherited from EMTParameterProvider
virtual ~EMTParameterProvider ()

Protected Member Functions

virtual emt_parameters * GetNewParameters (int element)
virtual void calc_cutoff ()
virtual void calc_gammas ()
virtual void calc_chi ()

Protected Attributes

std::vector< emt_parameters * > params
TinyDoubleMatrix * chi
double maxseq
double cutoff
double cutslope
double listcutofffactor

Static Protected Attributes

static const int shell0
static const int shell1

Detailed Description

Definition at line 10 of file EMTDefaultParameterProvider.h.

Constructor & Destructor Documentation

◆ EMTDefaultParameterProvider()

EMTDefaultParameterProvider::EMTDefaultParameterProvider ( )

◆ ~EMTDefaultParameterProvider()

virtual EMTDefaultParameterProvider::~EMTDefaultParameterProvider ( )
virtual

Member Function Documentation

◆ calc_chi()

virtual void EMTDefaultParameterProvider::calc_chi ( )
protectedvirtual

◆ calc_cutoff()

virtual void EMTDefaultParameterProvider::calc_cutoff ( )
protectedvirtual

◆ calc_gammas()

virtual void EMTDefaultParameterProvider::calc_gammas ( )
protectedvirtual

◆ CalcGammaEtc()

virtual void EMTDefaultParameterProvider::CalcGammaEtc ( )
virtual

Implements EMTParameterProvider.

◆ Debug()

virtual void EMTDefaultParameterProvider::Debug ( )
virtual

◆ GetChi()

virtual const TinyDoubleMatrix * EMTDefaultParameterProvider::GetChi ( )
inlinevirtual

Implements EMTParameterProvider.

Definition at line 24 of file EMTDefaultParameterProvider.h.

24{ return chi; }

◆ GetCutoffDistance()

virtual double EMTDefaultParameterProvider::GetCutoffDistance ( )
inlinevirtual

Implements EMTParameterProvider.

Definition at line 17 of file EMTDefaultParameterProvider.h.

17{ return cutoff; }

◆ GetCutoffSlope()

virtual double EMTDefaultParameterProvider::GetCutoffSlope ( )
inlinevirtual

Implements EMTParameterProvider.

Definition at line 19 of file EMTDefaultParameterProvider.h.

19{ return cutslope; }

◆ GetLengthScale()

virtual double EMTDefaultParameterProvider::GetLengthScale ( )
inlinevirtual

Implements EMTParameterProvider.

Definition at line 22 of file EMTDefaultParameterProvider.h.

22{ return params[0]->lengthscale; }
EMTDefaultParameterProvider::params
std::vector< emt_parameters * > params
Definition EMTDefaultParameterProvider.h:34

◆ GetListCutoffDistance()

virtual double EMTDefaultParameterProvider::GetListCutoffDistance ( )
inlinevirtual

Implements EMTParameterProvider.

Definition at line 18 of file EMTDefaultParameterProvider.h.

18{ return cutoff * listcutofffactor; }

◆ GetNewParameters()

virtual emt_parameters * EMTDefaultParameterProvider::GetNewParameters ( int element)
protectedvirtual

Reimplemented in EMTRasmussenParameterProvider.

◆ GetNumberOfElements()

virtual int EMTDefaultParameterProvider::GetNumberOfElements ( )
inlinevirtual

Implements EMTParameterProvider.

Definition at line 23 of file EMTDefaultParameterProvider.h.

23{ return params.size(); }

◆ GetParameters()

virtual const emt_parameters * EMTDefaultParameterProvider::GetParameters ( int element)
virtual

Implements EMTParameterProvider.

Member Data Documentation

◆ chi

TinyDoubleMatrix* EMTDefaultParameterProvider::chi
protected

Definition at line 35 of file EMTDefaultParameterProvider.h.

◆ cutoff

double EMTDefaultParameterProvider::cutoff
protected

Definition at line 37 of file EMTDefaultParameterProvider.h.

◆ cutslope

double EMTDefaultParameterProvider::cutslope
protected

Definition at line 38 of file EMTDefaultParameterProvider.h.

◆ listcutofffactor

double EMTDefaultParameterProvider::listcutofffactor
protected

Definition at line 39 of file EMTDefaultParameterProvider.h.

◆ maxseq

double EMTDefaultParameterProvider::maxseq
protected

Definition at line 36 of file EMTDefaultParameterProvider.h.

◆ params

std::vector<emt_parameters *> EMTDefaultParameterProvider::params
protected

Definition at line 34 of file EMTDefaultParameterProvider.h.

◆ shell0

const int EMTDefaultParameterProvider::shell0
staticprotected

Definition at line 42 of file EMTDefaultParameterProvider.h.

◆ shell1

const int EMTDefaultParameterProvider::shell1
staticprotected

Definition at line 43 of file EMTDefaultParameterProvider.h.

The documentation for this class was generated from the following file: