Change naming convention

e.g., saveQuantumNumbers -> save_quantum_numbers

c++/pomerol_ed.cpp

@@ -209,8 +209,8 @@ namespace pomerol2triqs {
     diagonalize_main(gs_shift);
   }
 
-  void pomerol_ed::saveQuantumNumbers(const std::string &filename) {
-    if (!states_class) TRIQS_RUNTIME_ERROR << "saveQuantumNumbers: internal error!";
+  void pomerol_ed::save_quantum_numbers(const std::string &filename) {
+    if (!states_class) TRIQS_RUNTIME_ERROR << "save_quantum_numbers: internal error!";
 
     if (!comm.rank()) {
       std::ofstream fout(filename);
@@ -222,8 +222,8 @@ namespace pomerol2triqs {
     }
   }
 
-  void pomerol_ed::saveEigenValues(const std::string &filename) {
-    if (!states_class || !matrix_h) TRIQS_RUNTIME_ERROR << "saveEigenValues: internal error!";
+  void pomerol_ed::save_eigenvalues(const std::string &filename) {
+    if (!states_class || !matrix_h) TRIQS_RUNTIME_ERROR << "save_eigenvalues: internal error!";
 
     if (!comm.rank()) {
       // create a list of pairs of eigenvalue and quantum numers to sort
@@ -277,7 +277,7 @@ namespace pomerol2triqs {
       rho.reset(new Pomerol::DensityMatrix(*states_class, *matrix_h, beta));
       rho->prepare();
       rho->compute();
-      rho->truncateBlocks(DensityMatrixCutoff, verbose);
+      rho->truncateBlocks(density_matrix_cutoff, verbose);
     }
   }
 

c++/pomerol_ed.hpp

@@ -87,7 +87,7 @@ namespace pomerol2triqs {
     // block2_gf<Mesh, tensor_valued<4>> compute_g2(gf_struct_t const &gf_struct, gf_mesh<Mesh> const &mesh, block_order_t block_order,
     //                                              g2_blocks_t const &g2_blocks, Filler filler) const;
 
-    double DensityMatrixCutoff = 1e-15;
+    double density_matrix_cutoff = 1e-15;
 
     public:
     /// Create a new solver object
@@ -100,13 +100,13 @@ namespace pomerol2triqs {
     void diagonalize(many_body_op_t const &hamiltonian, std::vector<many_body_op_t> const& integrals_of_motion);
 
     /// Save quantum numbers and block size
-    void saveQuantumNumbers(const std::string &filename);
+    void save_quantum_numbers(const std::string &filename);
 
     /// Save all eigenvalues and corresponding quantum numbers
-    void saveEigenValues(const std::string &filename);
+    void save_eigenvalues(const std::string &filename);
 
-    /// Set DensityMatrixCutoff (default: 1e-15, 0 = No cutoff). DensityMatrix will be recomputed.
-    void setDensityMatrixCutoff(const double DensityMatrixCutoff);
+    /// Set density-matrix cutoff (default: 1e-15, 0 = No cutoff). Density matrix will be recomputed.
+    void set_density_matrix_cutoff(const double cutoff);
 
     /// Green's function in Matsubara frequencies
     block_gf<imfreq> G_iw(gf_struct_t const &gf_struct, double beta, int n_iw);
@@ -130,8 +130,8 @@ namespace pomerol2triqs {
     // block2_gf<w_l_lp_t, tensor_valued<4>> G2_iw_l_lp(g2_iw_l_lp_params_t const &p);
   };
 
-  inline void pomerol_ed::setDensityMatrixCutoff(const double DensityMatrixCutoff){
-    this->DensityMatrixCutoff = DensityMatrixCutoff;
+  inline void pomerol_ed::set_density_matrix_cutoff(const double cutoff){
+    this->density_matrix_cutoff = cutoff;
     rho.release();
   }
 }

example/2band.atom.py

@@ -66,11 +66,11 @@
 ed.diagonalize(H)
 
 # save data
-ed.saveQuantumNumbers("quantum_numbers.dat")
-ed.saveEigenValues("eigenvalues.dat")
+ed.save_quantum_numbers("quantum_numbers.dat")
+ed.save_eigenvalues("eigenvalues.dat")
 
-# set DensityMatrixCutoff
-ed.setDensityMatrixCutoff(1e-10)
+# set density-matrix cutoff
+ed.set_density_matrix_cutoff(1e-10)
 
 # Compute G(i\omega)
 G_iw = ed.G_iw(gf_struct, beta, n_iw)

example/slater.py

@@ -112,11 +112,11 @@
 # ed.diagonalize(H, [N,])  # only N
 
 # save data
-ed.saveQuantumNumbers("quantum_numbers.dat")
-ed.saveEigenValues("eigenvalues.dat")
+ed.save_quantum_numbers("quantum_numbers.dat")
+ed.save_eigenvalues("eigenvalues.dat")
 
-# set DensityMatrixCutoff
-ed.setDensityMatrixCutoff(1e-10)
+# set density-matrix cutoff
+ed.set_density_matrix_cutoff(1e-10)
 
 # Compute G(i\omega)
 G_iw = ed.G_iw(gf_struct, beta, n_iw)

python/pomerol2triqs_desc.py

@@ -49,23 +49,23 @@
 c.add_method("""void diagonalize (many_body_op_t hamiltonian, std::vector<many_body_op_t> integrals_of_motion)""",
              doc = """Diagonalize Hamiltonian using provided integrals of motion """)
 
-c.add_method("""void saveQuantumNumbers (std::string filename)""",
+c.add_method("""void save_quantum_numbers (std::string filename)""",
              doc = """Save quantum numbers and block size """)
 
-c.add_method("""void saveEigenValues (std::string filename)""",
+c.add_method("""void save_eigenvalues (std::string filename)""",
              doc = """Save all eigenvalues and corresponding quantum numbers """)
 
-c.add_method("""void setDensityMatrixCutoff (double DensityMatrixCutoff)""",
-             doc = """Set DensityMatrixCutoff (default: 1e-15, 0 = No cutoff). DensityMatrix will be recomputed. """)
+c.add_method("""void set_density_matrix_cutoff (double cutoff)""",
+             doc = r"""Set density-matrix cutoff (default: 1e-15, 0 = No cutoff). Density matrix will be recomputed.""")
 
 c.add_method("""block_gf<imfreq> G_iw (gf_struct_t gf_struct, double beta, int n_iw)""",
-             doc = """Green\'s function in Matsubara frequencies """)
+             doc = r"""Green's function in Matsubara frequencies""")
 
 c.add_method("""block_gf<imtime> G_tau (gf_struct_t gf_struct, double beta, int n_tau)""",
-             doc = """Green\'s function in imaginary time """)
+             doc = r"""Green's function in imaginary time""")
 
 c.add_method("""block_gf<refreq> G_w (gf_struct_t gf_struct, double beta, std::pair<double,double> energy_window, int n_w, double im_shift = 0)""",
-             doc = """Retarded Green\'s function on real energy axis """)
+             doc = r"""Retarded Green's function on real energy axis""")
 
 c.add_method("""array<std::complex<double>, 3> G2_iw (**pomerol2triqs::g2_iw_inu_inup_params_t)""",
              doc = r"""Two-particle Green's function, Matsubara frequencies""")