MADNESS  0.10.1
Public Member Functions | Private Attributes | List of all members
madness::scf_data Class Reference

#include <SCF.h>

Public Member Functions

 scf_data ()
 
void add_data (std::map< std::string, double > values)
 
void print_data ()
 
void to_json (json &j) const
 

Private Attributes

std::map< std::string, std::vector< double > > e_data
 
int iter
 

Constructor & Destructor Documentation

◆ scf_data()

madness::scf_data::scf_data ( )

References e_data.

Member Function Documentation

◆ add_data()

void madness::scf_data::add_data ( std::map< std::string, double >  values)

References v.

Referenced by madness::SCF::solve().

◆ print_data()

void madness::scf_data::print_data ( )

References e_data, and madness::print().

◆ to_json()

void madness::scf_data::to_json ( json j) const

Member Data Documentation

◆ e_data

std::map<std::string, std::vector<double> > madness::scf_data::e_data
private

Referenced by scf_data(), print_data(), and to_json().

◆ iter

int madness::scf_data::iter
private

Referenced by to_json().


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