ergo
PuriInfo Class Reference

#include <puri_info.h>

Public Types

typedef ergo_real real
 

Public Member Functions

 PuriInfo ()
 
void print_collected_info ()
 
void print_collected_info_printf ()
 
void get_poly_seq (std::vector< int > &norms)
 
void get_vec_frob_norms (std::vector< real > &norms)
 
void get_vec_mixed_norms (std::vector< real > &norms)
 
void get_vec_traces (std::vector< real > &traces)
 
void get_spectrum_bounds (real &lower_spectrum_bound_, real &upper_spectrum_bound_) const
 
void set_spectrum_bounds (const real lower_spectrum_bound_, const real upper_spectrum_bound_)
 

Public Attributes

int method
 
int stopping_criterion
 
real norm_F_Fprev
 
real total_time
 
int total_it
 
real time_spectrum_bounds
 
int estim_total_it
 
int additional_iterations
 
int converged
 
real error_subspace
 
real accumulated_error_subspace
 
real homo_estim_upp_F
 
real homo_estim_low_F
 
real lumo_estim_upp_F
 
real lumo_estim_low_F
 
bool compute_eigenvectors_in_this_SCF_cycle
 
bool homo_eigenvector_is_computed
 
bool lumo_eigenvector_is_computed
 
int homo_eigenvector_is_computed_in_iter
 
int lumo_eigenvector_is_computed_in_iter
 
int homo_eigensolver_iter
 
int lumo_eigensolver_iter
 
double homo_eigensolver_time
 
double lumo_eigensolver_time
 
real eigValHOMO
 
real eigValLUMO
 
std::vector< IterationInfoIterations
 
int debug_output
 
real upper_spectrum_bound
 
real lower_spectrum_bound
 

Member Typedef Documentation

Constructor & Destructor Documentation

PuriInfo::PuriInfo ( )
inline

Member Function Documentation

void PuriInfo::get_poly_seq ( std::vector< int > &  norms)

References Iterations, and total_it.

void PuriInfo::get_spectrum_bounds ( real lower_spectrum_bound_,
real upper_spectrum_bound_ 
) const
void PuriInfo::get_vec_frob_norms ( std::vector< real > &  norms)

References Iterations, and total_it.

void PuriInfo::get_vec_mixed_norms ( std::vector< real > &  norms)

References Iterations, and total_it.

void PuriInfo::get_vec_traces ( std::vector< real > &  traces)

References Iterations, and total_it.

void PuriInfo::print_collected_info_printf ( )
void PuriInfo::set_spectrum_bounds ( const real  lower_spectrum_bound_,
const real  upper_spectrum_bound_ 
)

Member Data Documentation

real PuriInfo::accumulated_error_subspace
int PuriInfo::additional_iterations
bool PuriInfo::compute_eigenvectors_in_this_SCF_cycle
int PuriInfo::converged
int PuriInfo::debug_output
real PuriInfo::eigValHOMO
real PuriInfo::eigValLUMO
real PuriInfo::error_subspace
int PuriInfo::estim_total_it
int PuriInfo::homo_eigensolver_iter
double PuriInfo::homo_eigensolver_time
bool PuriInfo::homo_eigenvector_is_computed
int PuriInfo::homo_eigenvector_is_computed_in_iter
real PuriInfo::homo_estim_low_F
real PuriInfo::homo_estim_upp_F
real PuriInfo::lower_spectrum_bound
int PuriInfo::lumo_eigensolver_iter
double PuriInfo::lumo_eigensolver_time
bool PuriInfo::lumo_eigenvector_is_computed
int PuriInfo::lumo_eigenvector_is_computed_in_iter
real PuriInfo::lumo_estim_low_F
real PuriInfo::lumo_estim_upp_F
real PuriInfo::norm_F_Fprev
int PuriInfo::stopping_criterion
real PuriInfo::time_spectrum_bounds
real PuriInfo::upper_spectrum_bound

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