remove unused functions and declarations

ahurta92 · Jul 1, 2024 · cbe6601 · cbe6601
1 parent 4b2e89b
commit cbe6601
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diff --git a/src/apps/molresponse/FrequencyResponse.cpp b/src/apps/molresponse/FrequencyResponse.cpp
@@ -346,14 +346,6 @@ void FrequencyResponse::frequency_to_json(json &j_mol_in, size_t iter, const Ten
  j_mol_in["protocol_data"][index]["property_data"].push_back(j);
 }
 
-void FrequencyResponse::compute_and_print_polarizability(World &world, X_space &Chi, X_space &pq, std::string message) {
- Tensor<double> G = -2 * inner(Chi, pq);
- if (world.rank() == 0) {
- print("Polarizability", message);
- print(G);
- }
-}
-
 void FrequencyResponse::save(World &world, const std::string &name) {
  // Archive to write everything to
  archive::ParallelOutputArchive ar(world, name.c_str(), 1);

diff --git a/src/apps/molresponse/FrequencyResponse.hpp b/src/apps/molresponse/FrequencyResponse.hpp
@@ -195,21 +195,11 @@ class QuadraticResponse : public ResponseBase {
  std::array<double, 3> frequencies;
  std::array<XData, 3> x_data;
  std::pair<X_space, X_space> setup_XBC(World &world);
- X_space compute_UPSILON(World &world, const X_space &XB, const X_space &XC);
  RHS_Generator generator;
- X_space compute_VBC(World &world, const X_space &XB, const X_space &XC);
- X_space compute_gamma_quadratic(World &world, const X_space &XB, const X_space &XC,
- const vector_real_function_3d &phi0) const;
- X_space compute_coulomb_term(World &world, const X_space &B, const X_space &C) const;
- X_space compute_exchange_term(World &world, const X_space &B, const X_space &C) const;
  std::pair<X_space, X_space> dipole_perturbation(World &world, const X_space &left, const X_space &right) const;
- Tensor<double> compute_beta_1(const X_space &upsilon);
- Tensor<double> compute_beta_1(World &world, const X_space &upsilon);
- X_space compute_gamma_occ(World &world, const X_space &XB, const X_space &XC);
  X_space compute_g1_term(World &world, const X_space &left, const X_space &right, const X_space &apply) const;
  X_space compute_coulomb_term(World &world, const X_space &A, const X_space &B, const X_space &D) const;
  X_space compute_exchange_term(World &world, const X_space &A, const X_space &B, const X_space &x_apply) const;
- X_space compute_beta(World &world, const X_space &XB, const X_space &XC);
  std::tuple<X_space, X_space, X_space, X_space> compute_zeta_response_vectors(World &world, const X_space &B,
  const X_space &C);
  std::pair<X_space, X_space> compute_first_order_fock_matrix_terms(World &world, const X_space &A,
@@ -260,7 +250,6 @@ class FrequencyResponse : public ResponseBase {
  vector<poperatorT> &bsh_y_ops, QProjector<double, 3> &projector, double &x_shifts);
  static void frequency_to_json(json &j_mol_in, size_t iter, const Tensor<double> &polar_ij,
  const Tensor<double> &res_polar_ij);
- static void compute_and_print_polarizability(World &world, X_space &Chi, X_space &pq, std::string message);
  void save(World &world, const std::string &name) override;
  std::tuple<X_space, residuals, vector_real_function_3d>
  update_response(World &world, X_space &chi, XCOperator<double, 3> &xc, std::vector<poperatorT> &bsh_x_ops,