ergo
recexp_many_tests.cc File Reference

Test serial recursive expansion on a random symmetric matrix or matrix from a given binary file. More...

#include "purification_sp2.h"
#include "purification_sp2acc.h"
#include "matrix_typedefs.h"
#include "realtype.h"
#include "matrix_utilities.h"
#include "integral_matrix_wrappers.h"
#include "SizesAndBlocks.h"
#include "Matrix.h"
#include "Vector.h"
#include "MatrixSymmetric.h"
#include "MatrixTriangular.h"
#include "MatrixGeneral.h"
#include "VectorGeneral.h"
#include "output.h"
#include <iostream>
#include <fstream>
#include <sstream>
#include <string.h>
#include "random_matrices.h"
#include "get_eigenvectors.h"

Classes

struct  data_for_recexp

Macros

#define SQRT_EPSILON_REAL   template_blas_sqrt(mat::getMachineEpsilon<real>())
#define TEST_COUNT   8

Typedefs

typedef struct data_for_recexp data_for_recexp_t

Functions

void plot_results (const Purification_sp2< MatrixType > &Puri)
template<typename Matrix>
void init_matrix (Matrix &X, const int N)
void prepare_data_for_recexp (int testnum, data_for_recexp_t &DATA)
void set_test_1_data (data_for_recexp_t &DATA)
void set_test_2_data (data_for_recexp_t &DATA)
void set_test_3_data (data_for_recexp_t &DATA)
void set_test_4_data (data_for_recexp_t &DATA)
void set_test_5_data (data_for_recexp_t &DATA)
void set_test_6_data (data_for_recexp_t &DATA)
void set_test_7_data (data_for_recexp_t &DATA)
void set_test_8_data (data_for_recexp_t &DATA)
int main (int argc, char *argv[])

Variables

real TOL_ERR_SUBS_DEFAULT = SQRT_EPSILON_REAL
real TOL_TRACE_ERROR_DEFAULT = SQRT_EPSILON_REAL

Detailed Description

Test serial recursive expansion on a random symmetric matrix or matrix from a given binary file.

Matrix in a binary file should contain only the upper triangle. Note: to get homo-lumo gap all matrix eigenvalues are computed.

Author
Anastasia Kruchinina responsible

Macro Definition Documentation

◆ SQRT_EPSILON_REAL

#define SQRT_EPSILON_REAL   template_blas_sqrt(mat::getMachineEpsilon<real>())

◆ TEST_COUNT

#define TEST_COUNT   8

Referenced by main().

Typedef Documentation

◆ data_for_recexp_t

typedef struct data_for_recexp data_for_recexp_t

Function Documentation

◆ init_matrix()

template<typename Matrix>
void init_matrix ( Matrix & X,
const int N )

!!

References cols, and rows.

◆ main()

int main ( int argc,
char * argv[] )

References PuriInfo::accumulated_error_subspace, mat::MatrixBase< Treal, Tmatrix >::clear(), PuriInfo::converged, data_for_recexp::err_eig, data_for_recexp::err_sub, PuriInfo::error_subspace, get_all_eigenvalues_of_matrix(), get_random_symm_matrix(), mat::Params::getMatrixParallelLevel(), mat::Params::getNProcs(), data_for_recexp::homo_in, data_for_recexp::homo_lumo_bounds_known, data_for_recexp::homo_out, PurificationGeneral< MatrixType >::info, PurificationGeneral< MatrixType >::initialize(), data_for_recexp::lumo_in, data_for_recexp::lumo_out, data_for_recexp::maxit, data_for_recexp::N, data_for_recexp::N_occ, data_for_recexp::normPuri, data_for_recexp::normPuriStopCrit, prepare_data_for_recexp(), PuriInfo::print_collected_info_printf(), PurificationGeneral< MatrixType >::PurificationStart(), mat::Params::setMatrixParallelLevel(), mat::Params::setNProcs(), template_blas_fabs(), TEST_COUNT, TOL_TRACE_ERROR_DEFAULT, PuriInfo::total_it, mat::MatrixBase< Treal, Tmatrix >::trace(), data_for_recexp::which_stop_crit, and PurificationGeneral< MatrixType >::X.

◆ plot_results()

void plot_results ( const Purification_sp2< MatrixType > & Puri)

References 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(), and PurificationGeneral< MatrixType >::gen_matlab_file_time().

◆ prepare_data_for_recexp()

void prepare_data_for_recexp ( int testnum,
data_for_recexp_t & DATA )

References data_for_recexp::err_eig, data_for_recexp::err_sub, mat::euclNorm, mat::frobNorm, mat::mixedNorm, data_for_recexp::N, data_for_recexp::N_occ, data_for_recexp::normPuri, data_for_recexp::normPuriStopCrit, set_test_1_data(), set_test_2_data(), set_test_3_data(), set_test_4_data(), set_test_5_data(), set_test_6_data(), set_test_7_data(), set_test_8_data(), and data_for_recexp::which_stop_crit.

Referenced by main().

◆ set_test_1_data()

void set_test_1_data ( data_for_recexp_t & DATA)

References data_for_recexp::compute_eigenvectors, data_for_recexp::err_eig, data_for_recexp::err_sub, mat::euclNorm, data_for_recexp::homo_in, data_for_recexp::homo_lumo_bounds_known, data_for_recexp::homo_out, data_for_recexp::lumo_in, data_for_recexp::lumo_out, MAX_DOUBLE, data_for_recexp::maxit, data_for_recexp::N, data_for_recexp::N_occ, data_for_recexp::normPuri, data_for_recexp::normPuriStopCrit, TOL_ERR_SUBS_DEFAULT, and data_for_recexp::which_stop_crit.

Referenced by prepare_data_for_recexp().

◆ set_test_2_data()

void set_test_2_data ( data_for_recexp_t & DATA)

References data_for_recexp::compute_eigenvectors, data_for_recexp::err_eig, data_for_recexp::err_sub, mat::euclNorm, data_for_recexp::homo_in, data_for_recexp::homo_lumo_bounds_known, data_for_recexp::homo_out, data_for_recexp::lumo_in, data_for_recexp::lumo_out, MAX_DOUBLE, data_for_recexp::maxit, data_for_recexp::N, data_for_recexp::N_occ, data_for_recexp::normPuri, data_for_recexp::normPuriStopCrit, TOL_ERR_SUBS_DEFAULT, and data_for_recexp::which_stop_crit.

Referenced by prepare_data_for_recexp().

◆ set_test_3_data()

void set_test_3_data ( data_for_recexp_t & DATA)

References data_for_recexp::compute_eigenvectors, data_for_recexp::err_eig, data_for_recexp::err_sub, mat::euclNorm, data_for_recexp::homo_in, data_for_recexp::homo_lumo_bounds_known, data_for_recexp::homo_out, data_for_recexp::lumo_in, data_for_recexp::lumo_out, MAX_DOUBLE, data_for_recexp::maxit, data_for_recexp::N, data_for_recexp::N_occ, data_for_recexp::normPuri, data_for_recexp::normPuriStopCrit, TOL_ERR_SUBS_DEFAULT, and data_for_recexp::which_stop_crit.

Referenced by prepare_data_for_recexp().

◆ set_test_4_data()

void set_test_4_data ( data_for_recexp_t & DATA)

References data_for_recexp::compute_eigenvectors, data_for_recexp::err_eig, data_for_recexp::err_sub, mat::frobNorm, data_for_recexp::homo_in, data_for_recexp::homo_lumo_bounds_known, data_for_recexp::homo_out, data_for_recexp::lumo_in, data_for_recexp::lumo_out, MAX_DOUBLE, data_for_recexp::maxit, data_for_recexp::N, data_for_recexp::N_occ, data_for_recexp::normPuri, data_for_recexp::normPuriStopCrit, TOL_ERR_SUBS_DEFAULT, and data_for_recexp::which_stop_crit.

Referenced by prepare_data_for_recexp().

◆ set_test_5_data()

void set_test_5_data ( data_for_recexp_t & DATA)

References data_for_recexp::compute_eigenvectors, data_for_recexp::err_eig, data_for_recexp::err_sub, mat::frobNorm, data_for_recexp::homo_in, data_for_recexp::homo_lumo_bounds_known, data_for_recexp::homo_out, data_for_recexp::lumo_in, data_for_recexp::lumo_out, MAX_DOUBLE, data_for_recexp::maxit, data_for_recexp::N, data_for_recexp::N_occ, data_for_recexp::normPuri, data_for_recexp::normPuriStopCrit, TOL_ERR_SUBS_DEFAULT, and data_for_recexp::which_stop_crit.

Referenced by prepare_data_for_recexp().

◆ set_test_6_data()

void set_test_6_data ( data_for_recexp_t & DATA)

References data_for_recexp::compute_eigenvectors, data_for_recexp::err_eig, data_for_recexp::err_sub, data_for_recexp::homo_in, data_for_recexp::homo_lumo_bounds_known, data_for_recexp::homo_out, data_for_recexp::lumo_in, data_for_recexp::lumo_out, MAX_DOUBLE, data_for_recexp::maxit, mat::mixedNorm, data_for_recexp::N, data_for_recexp::N_occ, data_for_recexp::normPuri, data_for_recexp::normPuriStopCrit, TOL_ERR_SUBS_DEFAULT, and data_for_recexp::which_stop_crit.

Referenced by prepare_data_for_recexp().

◆ set_test_7_data()

void set_test_7_data ( data_for_recexp_t & DATA)

References data_for_recexp::compute_eigenvectors, data_for_recexp::err_eig, data_for_recexp::err_sub, data_for_recexp::homo_in, data_for_recexp::homo_lumo_bounds_known, data_for_recexp::homo_out, data_for_recexp::lumo_in, data_for_recexp::lumo_out, MAX_DOUBLE, data_for_recexp::maxit, mat::mixedNorm, data_for_recexp::N, data_for_recexp::N_occ, data_for_recexp::normPuri, data_for_recexp::normPuriStopCrit, TOL_ERR_SUBS_DEFAULT, and data_for_recexp::which_stop_crit.

Referenced by prepare_data_for_recexp().

◆ set_test_8_data()

void set_test_8_data ( data_for_recexp_t & DATA)

References data_for_recexp::compute_eigenvectors, data_for_recexp::err_eig, data_for_recexp::err_sub, data_for_recexp::homo_in, data_for_recexp::homo_lumo_bounds_known, data_for_recexp::homo_out, data_for_recexp::lumo_in, data_for_recexp::lumo_out, MAX_DOUBLE, data_for_recexp::maxit, mat::mixedNorm, data_for_recexp::N, data_for_recexp::N_occ, data_for_recexp::normPuri, data_for_recexp::normPuriStopCrit, TOL_ERR_SUBS_DEFAULT, and data_for_recexp::which_stop_crit.

Referenced by prepare_data_for_recexp().

Variable Documentation

◆ TOL_ERR_SUBS_DEFAULT

real TOL_ERR_SUBS_DEFAULT = SQRT_EPSILON_REAL

◆ TOL_TRACE_ERROR_DEFAULT

real TOL_TRACE_ERROR_DEFAULT = SQRT_EPSILON_REAL