ergo
simple_purification.cc File Reference
#include <sstream>
#include <cmath>
#include "simple_purification.h"
#include "output.h"
#include "utilities.h"

Typedefs

typedef mat::Interval< ergo_realintervalType
 

Functions

void simple_purification (symmMatrix const &F_ort, int const noOfOccupiedOrbs, intervalType const &allEigsInterval, ergo_real const threshold, ergo_real const conv_crit_frob_norm_diff, int const maxiter, symmMatrix &X, int &iter, std::vector< double > &wall_seconds, std::vector< size_t > &nnz_X, std::vector< size_t > &nnz_X2)
 
static void get_E_norm_and_sin_theta (symmMatrix const &X, int const noOfOccupiedOrbs, intervalType const &allEigsInterval, symmMatrix const &D_exact, ergo_real threshold, double &E_norm, double &sin_theta)
 
static void output_m_vector (std::vector< double > const &v, std::string const &s, int n, std::ofstream &ff)
 
void run_comparison_to_simple_purification (symmMatrix const &F_ort, int const noOfOccupiedOrbs, intervalType const &allEigsInterval, symmMatrix const &D_ort, int const globalCounter)
 

Typedef Documentation

Function Documentation

static void get_E_norm_and_sin_theta ( symmMatrix const &  X,
int const  noOfOccupiedOrbs,
intervalType const &  allEigsInterval,
symmMatrix const &  D_exact,
ergo_real  threshold,
double &  E_norm,
double &  sin_theta 
)
static
static void output_m_vector ( std::vector< double > const &  v,
std::string const &  s,
int  n,
std::ofstream &  ff 
)
static
void run_comparison_to_simple_purification ( symmMatrix const &  F_ort,
int const  noOfOccupiedOrbs,
intervalType const &  allEigsInterval,
symmMatrix const &  D_ort,
int const  globalCounter 
)