Print the negatative of omeaga A to beta.json

ahurta92 · Jul 1, 2024 · fceb34e · fceb34e
1 parent dbf6123
commit fceb34e
Showing 1 changed file with 1 addition and 7 deletions.
diff --git a/src/apps/molresponse/maddft/response_manager.hpp b/src/apps/molresponse/maddft/response_manager.hpp
@@ -1154,7 +1154,7 @@ class ResponseCalcManager
 
  std::array<double, 18> beta_vector{};
  std::copy(beta_abc.ptr(), beta_abc.ptr() + 3 * 6, beta_vector.begin());
- append_to_beta_json({omega_a, omega_b, omega_c}, beta_vector, beta_json);
+ append_to_beta_json({-1.0 * omega_a, omega_b, omega_c}, beta_vector, beta_json);
 
  std::ofstream outfile("beta.json");
  if (outfile.is_open())
@@ -1179,12 +1179,6 @@ class ResponseCalcManager
  }
  }
 
- // // print the beta table
- // if (world.rank() == 0)
- // {
- // ::print(beta_json.dump(4));
- // }
-
  // write the beta json to file
  std::ofstream ofs("beta.json");
  ofs << std::setw(4) << beta_json << std::endl;