예제 #1
0
void solver::run_iteration()
{
    for(unsigned int i = 0; i < max_it; i++)
    {
        PHYSICAL_rho_to_h();
        SYSTEM_h_to_rho();

        if(Calc_conv_par() < conv_treshold)
        {
            break;
        }

//        alternative_rho();
    }
}
예제 #2
0
void solver::run_iteration()
{
    for(unsigned int i = 0; (i < max_it); i++)
    {
        std::cout <<endl<<"O=========================================================O"<< endl << "(  "<<i<<"  )"<<endl;

        PHYSICAL_rho_to_h();
        SYSTEM_h_to_rho();

        if((Calc_conv_par() < conv_treshold)&&(i>2))
        {
          cout << "The system converged! "<<endl<<endl<<endl;
            break;
        }

//        alternative_rho();
    }
}