Merge pull request #278 from shishaochen/remove-useless-codes

Remove duplicated calculation of coordinates.

src/lib/monte_carlo.cpp

@@ -60,12 +60,9 @@ void monte_carlo::operator()(model& m, output_container& out, const precalculate
 		if(step == 0 || metropolis_accept(tmp.e, candidate.e, temperature, generator)) {
 			tmp = candidate;
 
-			m.set(tmp.c); // FIXME? useless?
-
 			// FIXME only for very promising ones
 			if(tmp.e < best_e || out.size() < num_saved_mins) {
 				quasi_newton_par(m, p, ig, tmp, g, authentic_v, evalcount);
-				m.set(tmp.c); // FIXME? useless?
 				tmp.coords = m.get_heavy_atom_movable_coords();
 				add_to_output_container(out, tmp, min_rmsd, num_saved_mins); // 20 - max size
 				if(tmp.e < best_e)