ergo
pur::Step< Treal > Struct Template Reference

#include <Step.h>

Public Types

typedef Treal real
 

Public Member Functions

 Step ()
 
 Step (int const poly, real const alpha, mat::Interval< real > eig_homo, mat::Interval< real > eig_lumo, real traceX, real traceX2, real chosen_thresh, real actual_thresh, size_t nnzX, size_t nnzX2, double wall_sec_thresh, double wall_sec_square, double wall_sec_XmX2norm, double wall_sec_total)
 
void propagate_homo_to_previous (Step< real > &previous) const
 
void propagate_lumo_to_previous (Step< real > &previous) const
 

Public Attributes

int poly
 The step just taken, 0 for x*x and 1 for 2*x-x*x. More...
 
real alpha
 Scaling parameter just before the step just taken. More...
 
mat::Interval< realeig_homo
 Interval containing the HOMO eigenvalue of X. More...
 
mat::Interval< realeig_lumo
 Interval containing the LUMO eigenvalue of X. More...
 
mat::Interval< realeig_homo_orig
 Original interval. More...
 
mat::Interval< realeig_lumo_orig
 Original interval. More...
 
real traceX
 
real traceX2
 
real chosen_thresh
 
real actual_thresh
 If the matrix has been truncated, the error inflicted measured by the spectral norm. More...
 
size_t nnzX
 
size_t nnzX2
 
double wall_sec_thresh
 
double wall_sec_square
 
double wall_sec_XmX2norm
 
double wall_sec_total
 

Member Typedef Documentation

template<typename Treal>
typedef Treal pur::Step< Treal >::real

Constructor & Destructor Documentation

template<typename Treal>
pur::Step< Treal >::Step ( )
inline
template<typename Treal>
pur::Step< Treal >::Step ( int const  poly,
real const  alpha,
mat::Interval< real eig_homo,
mat::Interval< real eig_lumo,
real  traceX,
real  traceX2,
real  chosen_thresh,
real  actual_thresh,
size_t  nnzX,
size_t  nnzX2,
double  wall_sec_thresh,
double  wall_sec_square,
double  wall_sec_XmX2norm,
double  wall_sec_total 
)
inline

Member Function Documentation

template<typename Treal >
void pur::Step< Treal >::propagate_homo_to_previous ( Step< real > &  previous) const
template<typename Treal >
void pur::Step< Treal >::propagate_lumo_to_previous ( Step< real > &  previous) const

Member Data Documentation

template<typename Treal>
real pur::Step< Treal >::actual_thresh

If the matrix has been truncated, the error inflicted measured by the spectral norm.

Otherwise it should be zero.

template<typename Treal>
real pur::Step< Treal >::alpha

Scaling parameter just before the step just taken.

template<typename Treal>
real pur::Step< Treal >::chosen_thresh
template<typename Treal>
mat::Interval<real> pur::Step< Treal >::eig_homo

Interval containing the HOMO eigenvalue of X.

Referenced by pur::Step< Treal >::propagate_homo_to_previous().

template<typename Treal>
mat::Interval<real> pur::Step< Treal >::eig_homo_orig

Original interval.

template<typename Treal>
mat::Interval<real> pur::Step< Treal >::eig_lumo

Interval containing the LUMO eigenvalue of X.

Referenced by pur::Step< Treal >::propagate_lumo_to_previous().

template<typename Treal>
mat::Interval<real> pur::Step< Treal >::eig_lumo_orig

Original interval.

template<typename Treal>
size_t pur::Step< Treal >::nnzX
template<typename Treal>
size_t pur::Step< Treal >::nnzX2
template<typename Treal>
int pur::Step< Treal >::poly

The step just taken, 0 for x*x and 1 for 2*x-x*x.

template<typename Treal>
real pur::Step< Treal >::traceX
template<typename Treal>
real pur::Step< Treal >::traceX2
template<typename Treal>
double pur::Step< Treal >::wall_sec_square
template<typename Treal>
double pur::Step< Treal >::wall_sec_thresh
template<typename Treal>
double pur::Step< Treal >::wall_sec_total
template<typename Treal>
double pur::Step< Treal >::wall_sec_XmX2norm

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