ergo
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#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_) |
typedef ergo_real PuriInfo::real |
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inline |
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 |
References lower_spectrum_bound, and upper_spectrum_bound.
References Iterations, and total_it.
References Iterations, and total_it.
References Iterations, and total_it.
void PuriInfo::print_collected_info | ( | ) |
References additional_iterations, do_output(), estim_total_it, Iterations, LOG_AREA_DENSFROMF, LOG_CAT_INFO, method, stopping_criterion, total_it, and total_time.
Referenced by GetDensFromFock::get_dens_from_fock_sparse().
void PuriInfo::print_collected_info_printf | ( | ) |
References additional_iterations, estim_total_it, Iterations, method, stopping_criterion, total_it, and total_time.
Referenced by main().
void PuriInfo::set_spectrum_bounds | ( | const real | lower_spectrum_bound_, |
const real | upper_spectrum_bound_ | ||
) |
References lower_spectrum_bound, and upper_spectrum_bound.
real PuriInfo::accumulated_error_subspace |
Referenced by GetDensFromFock::get_dens_from_fock_sparse().
int PuriInfo::additional_iterations |
Referenced by print_collected_info(), and print_collected_info_printf().
bool PuriInfo::compute_eigenvectors_in_this_SCF_cycle |
int PuriInfo::converged |
Referenced by GetDensFromFock::get_dens_from_fock_sparse(), and main().
int PuriInfo::debug_output |
real PuriInfo::eigValHOMO |
Referenced by GetDensFromFock::get_dens_from_fock_sparse().
real PuriInfo::eigValLUMO |
Referenced by GetDensFromFock::get_dens_from_fock_sparse().
real PuriInfo::error_subspace |
int PuriInfo::estim_total_it |
Referenced by print_collected_info(), and print_collected_info_printf().
int PuriInfo::homo_eigensolver_iter |
Referenced by GetDensFromFock::get_dens_from_fock_sparse().
double PuriInfo::homo_eigensolver_time |
Referenced by GetDensFromFock::get_dens_from_fock_sparse().
bool PuriInfo::homo_eigenvector_is_computed |
Referenced by GetDensFromFock::get_dens_from_fock_sparse().
int PuriInfo::homo_eigenvector_is_computed_in_iter |
Referenced by GetDensFromFock::get_dens_from_fock_sparse().
real PuriInfo::homo_estim_low_F |
Referenced by GetDensFromFock::get_dens_from_fock_sparse().
real PuriInfo::homo_estim_upp_F |
Referenced by GetDensFromFock::get_dens_from_fock_sparse().
std::vector<IterationInfo> PuriInfo::Iterations |
real PuriInfo::lower_spectrum_bound |
Referenced by get_spectrum_bounds(), and set_spectrum_bounds().
int PuriInfo::lumo_eigensolver_iter |
Referenced by GetDensFromFock::get_dens_from_fock_sparse().
double PuriInfo::lumo_eigensolver_time |
Referenced by GetDensFromFock::get_dens_from_fock_sparse().
bool PuriInfo::lumo_eigenvector_is_computed |
Referenced by GetDensFromFock::get_dens_from_fock_sparse().
int PuriInfo::lumo_eigenvector_is_computed_in_iter |
Referenced by GetDensFromFock::get_dens_from_fock_sparse().
real PuriInfo::lumo_estim_low_F |
Referenced by GetDensFromFock::get_dens_from_fock_sparse().
real PuriInfo::lumo_estim_upp_F |
Referenced by GetDensFromFock::get_dens_from_fock_sparse().
int PuriInfo::method |
real PuriInfo::norm_F_Fprev |
int PuriInfo::stopping_criterion |
Referenced by print_collected_info(), and print_collected_info_printf().
real PuriInfo::time_spectrum_bounds |
int PuriInfo::total_it |
real PuriInfo::total_time |
real PuriInfo::upper_spectrum_bound |
Referenced by get_spectrum_bounds(), and set_spectrum_bounds().