src/heg_solver.cc
// Setup HEG environment and hci queues.
Setup HEG environment and hci queues.
Setup HEG environment and hci queues .
void HEGSolver::setup() {
  const double density = 3.0 / (4.0 * M_PI * pow(heg.r_s, 3));
  const double cell_length = pow(n_elecs / density, 1.0 / 3);
  const double k_unit = 2 * M_PI / cell_length;
  heg.cell_length = cell_length;
  heg.k_unit = k_unit;
  generate_k_vectors();
  n_orbs = heg.k_vectors.size();
  if (mpi.id == 0) {
    printf("%s K vectors generated. ", Timer::str());
    printf("Number of spin orbitals: %d\n", n_orbs * 2);
  }
  generate_orb_lut();
  generate_hci_queue();
}
void HEGSolver :: setup ( ) { const double density = 3.0 / ( 4.0 * M_PI * pow ( heg . r_s , 3 ) ) ; const double cell_length = pow ( n_elecs / density , 1.0 / 3 ) ; const double k_unit = 2 * M_PI / cell_length ; heg . cell_length = cell_length ; heg . k_unit = k_unit ; generate_k_vectors ( ) ; n_orbs = heg . k_vectors . size ( ) ; if ( mpi . id == 0 ) { printf ( " " , Timer :: str ( ) ) ; printf ( " \n " , n_orbs * 2 ) ; } generate_orb_lut ( ) ; generate_hci_queue ( ) ; }
Setup HEG environment and hci queues.
Setup HEG environment and hci queues .
// Basic quantities.