#include <puri_info.h>
◆ real
◆ PuriInfo()
◆ get_poly_seq()
void PuriInfo::get_poly_seq |
( |
std::vector< int > & |
norms | ) |
|
◆ get_spectrum_bounds()
void PuriInfo::get_spectrum_bounds |
( |
real & |
lower_spectrum_bound_, |
|
|
real & |
upper_spectrum_bound_ |
|
) |
| const |
◆ get_vec_frob_norms()
void PuriInfo::get_vec_frob_norms |
( |
std::vector< real > & |
norms | ) |
|
◆ get_vec_mixed_norms()
void PuriInfo::get_vec_mixed_norms |
( |
std::vector< real > & |
norms | ) |
|
◆ get_vec_traces()
void PuriInfo::get_vec_traces |
( |
std::vector< real > & |
traces | ) |
|
◆ print_collected_info()
void PuriInfo::print_collected_info |
( |
| ) |
|
◆ print_collected_info_printf()
void PuriInfo::print_collected_info_printf |
( |
| ) |
|
◆ set_spectrum_bounds()
void PuriInfo::set_spectrum_bounds |
( |
const real |
lower_spectrum_bound_, |
|
|
const real |
upper_spectrum_bound_ |
|
) |
| |
◆ accumulated_error_subspace
real PuriInfo::accumulated_error_subspace |
◆ additional_iterations
int PuriInfo::additional_iterations |
◆ compute_eigenvectors_in_this_SCF_cycle
bool PuriInfo::compute_eigenvectors_in_this_SCF_cycle |
◆ converged
◆ debug_output
int PuriInfo::debug_output |
◆ eigValHOMO
real PuriInfo::eigValHOMO |
◆ eigValLUMO
real PuriInfo::eigValLUMO |
◆ error_subspace
real PuriInfo::error_subspace |
◆ estim_total_it
int PuriInfo::estim_total_it |
◆ homo_eigensolver_iter
int PuriInfo::homo_eigensolver_iter |
◆ homo_eigensolver_time
double PuriInfo::homo_eigensolver_time |
◆ homo_eigenvector_is_computed
bool PuriInfo::homo_eigenvector_is_computed |
◆ homo_eigenvector_is_computed_in_iter
int PuriInfo::homo_eigenvector_is_computed_in_iter |
◆ homo_estim_low_F
real PuriInfo::homo_estim_low_F |
◆ homo_estim_upp_F
real PuriInfo::homo_estim_upp_F |
◆ Iterations
Referenced by PurificationGeneral< MatrixType >::compute_eigenvectors_without_diagonalization_last_iter_proj(), PurificationGeneral< MatrixType >::gen_matlab_file_cond_num(), PurificationGeneral< MatrixType >::gen_matlab_file_eigs(), PurificationGeneral< MatrixType >::gen_matlab_file_nnz(), PurificationGeneral< MatrixType >::gen_matlab_file_norm_diff(), PurificationGeneral< MatrixType >::gen_matlab_file_threshold(), PurificationGeneral< MatrixType >::gen_matlab_file_time(), PurificationGeneral< MatrixType >::gen_python_file_nnz(), get_poly_seq(), get_vec_frob_norms(), get_vec_mixed_norms(), get_vec_traces(), print_collected_info(), print_collected_info_printf(), PurificationGeneral< MatrixType >::purification_process(), Purification_sp2acc< MatrixType >::return_constant_C(), PurificationGeneral< MatrixType >::stopping_criterion(), and PurificationGeneral< MatrixType >::total_subspace_error().
◆ lower_spectrum_bound
real PuriInfo::lower_spectrum_bound |
◆ lumo_eigensolver_iter
int PuriInfo::lumo_eigensolver_iter |
◆ lumo_eigensolver_time
double PuriInfo::lumo_eigensolver_time |
◆ lumo_eigenvector_is_computed
bool PuriInfo::lumo_eigenvector_is_computed |
◆ lumo_eigenvector_is_computed_in_iter
int PuriInfo::lumo_eigenvector_is_computed_in_iter |
◆ lumo_estim_low_F
real PuriInfo::lumo_estim_low_F |
◆ lumo_estim_upp_F
real PuriInfo::lumo_estim_upp_F |
◆ method
◆ norm_F_Fprev
real PuriInfo::norm_F_Fprev |
◆ stopping_criterion
int PuriInfo::stopping_criterion |
◆ time_spectrum_bounds
real PuriInfo::time_spectrum_bounds |
◆ total_it
Referenced by PurificationGeneral< MatrixType >::check_eigenvectors_at_the_end(), PurificationGeneral< MatrixType >::compute_eigenvectors_without_diagonalization_last_iter_proj(), PurificationGeneral< MatrixType >::estimate_homo_lumo(), PurificationGeneral< MatrixType >::gen_matlab_file_cond_num(), PurificationGeneral< MatrixType >::gen_matlab_file_eigs(), PurificationGeneral< MatrixType >::gen_matlab_file_nnz(), PurificationGeneral< MatrixType >::gen_matlab_file_norm_diff(), PurificationGeneral< MatrixType >::gen_matlab_file_threshold(), PurificationGeneral< MatrixType >::gen_matlab_file_time(), PurificationGeneral< MatrixType >::gen_python_file_nnz(), GetDensFromFock::get_dens_from_fock_sparse(), PurificationGeneral< MatrixType >::get_exact_number_of_puri_iterations(), get_poly_seq(), get_vec_frob_norms(), get_vec_mixed_norms(), get_vec_traces(), print_collected_info(), print_collected_info_printf(), and PurificationGeneral< MatrixType >::purification_process().
◆ total_time
real PuriInfo::total_time |
◆ upper_spectrum_bound
real PuriInfo::upper_spectrum_bound |
The documentation for this class was generated from the following files: