simplifying

src/apps/molresponse/FrequencyResponse.cpp

@@ -585,49 +585,25 @@ Tensor<double> QuadraticResponse::compute_beta_tensor(World &world, const X_spac
 
  std::vector<int> indices_A{0, 0, 0, 1, 1, 1, 2, 2, 2, 0};
  std::vector<int> indices_BC{0, 1, 2, 0, 1, 2, 0, 1, 2, 3};
-
  Tensor<double> beta(10);
- // for each vector in dipole vectors
- //
- vector_real_function_3d dipole_vector_A(10);
-
-
- auto vbc = to_response_matrix(VBC);
- auto xa = to_response_matrix(XA);
-
- auto bc_left = to_response_matrix(BC_left);
- auto bc_right = to_response_matrix(BC_right);
- auto cb_left = to_response_matrix(CB_left);
- auto cb_right = to_response_matrix(CB_right);
-
 
- vector_real_function_3d vbc_1(10);
- vector_real_function_3d bc(10);
- vector_real_function_3d cb(10);
 
  for (int i = 0; i < 10; i++)
  {
- vbc_1[i] = dot(world, vbc[indices_BC[i]], xa[indices_A[i]], false);
- bc[i] = dot(world, bc_left[indices_BC[i]], bc_right[indices_A[i]], false);
- cb[i] = dot(world, cb_left[indices_BC[i]], cb_right[indices_A[i]], false);
- dipole_vector_A[i] = dipole_vectors[indices_A[i]];
- }
- world.gop.fence();
 
- Tensor<double> beta_BC_1(10);
- Tensor<double> beta_BC_2(10);
- Tensor<double> beta_CB_1(10);
- Tensor<double> beta_CB_2(10);
+ auto a = indices_A[i];
+ auto bc = indices_BC[i];
 
- // Why is there a necessary fence here?
- beta_BC_1 = inner(world, bc, dipole_vector_A);
- beta_BC_2 = inner(world, cb, dipole_vector_A);
+ auto one =dot(world,BC_left.x[bc],BC_right.x[bc] * dipole_vectors[a],false).trace();
+ auto two = dot(world, BC_left.y[bc], BC_right.y[bc] * dipole_vectors[a], false).trace();
+ auto three = dot(world, CB_left.x[bc], CB_right.x[bc] * dipole_vectors[a], false).trace();
+ auto four = dot(world, CB_left.y[bc], CB_right.y[bc] * dipole_vectors[a], false).trace();
+ auto five = dot(world, XA.x[a], VBC.x[bc], false).trace();
+ auto six = dot(world, XA.y[a], VBC.y[bc], false).trace();
+ beta[i] = one + two + three + four + five + six;
 
- for (int i = 0; i < 10; i++)
- {
- beta[i] = beta_BC_1[i] + beta_BC_2[i] + beta_CB_1[i] + beta_CB_2[i] + vbc_1[i].trace();
  }
-
+ world.gop.fence();
 
  return -2.0 * beta;
 }