message: Fix scoring output
diff: @@ -260,9 +260,10 @@ void do_search(model& m, const boost::optional<model>& ref,
  naive_non_cache nnc(&exact_prec); // for out of grid issues
  e = m.eval_adjusted(sf, exact_prec, nnc, authentic_v, c,
  intramolecular_energy, user_grid);
  + get_cnn_info(m, cnn, log, cnnscore, cnnaffinity, cnnvariance);
  log << "Affinity: " << std::fixed << std::setprecision(5) << e
  - << " (kcal/mol)";
  + << " (kcal/mol)\n";
  log << "CNNscore: " << std::fixed << std::setprecision(5) << cnnscore << " "
  << "\nCNNaffinity: " << cnnaffinity;
  @@ -271,8 +272,6 @@ void do_search(model& m, const boost::optional<model>& ref,
  }
  log.endl();
  - get_cnn_info(m, cnn, log, cnnscore, cnnaffinity, cnnvariance);
  -
  std::vector<flv> atominfo;
  flv term_values = t->evale_robust(m);
  log << "Intramolecular energy: " << std::fixed << std::setprecision(5)
  