Commit 051ef63f authored by Doak, Peter W.'s avatar Doak, Peter W.
Browse files

assert with message if there are no interacting sites

parent 18a1de8b

include/dca/phys/models/general_interaction.hpp

+4 −0
Original line number Diff line number Diff line
@@ -76,6 +76,9 @@ void general_interaction<parameters_type>::set_vertex( 


  // Get a random pair of correlated spin-orbitals.

  const int pos = rng() * correlated_orbitals.size();

  // This is instead of crashing on segv when module is unknown.

  // \todo catch earlier in release as well.

  assert( pos < correlated_orbitals.size() && "It is likely you have specified an unknown model" );

  const int lin_ind = correlated_orbitals[pos];



  std::array<int, 6> sub_ind;  // [0]=b1, [1]=s1, [2]=b2, [3]=s2, [4]=r1, [5]=r2
@@ -118,6 +121,7 @@ std::vector<int> general_interaction<parameters_type>::make_correlated_orbitals( 
        for (auto b_j : interacting_orbitals) {

          for (int s_i = 0; s_i < SpinDmn::dmn_size(); ++s_i) {

            for (auto b_i : interacting_orbitals) {

              // This 1.e-3 seems like a very magic number!

              if (std::abs(H_interaction(b_i, s_i, b_j, s_j, delta_r)) > 1.e-3) {

                int linear_index = get_spin_orbital_pair_domain<BandDmn, SpinDmn, RDmn>()(

                    b_i, s_i, b_j, s_j, r_i, r_j);