Use same dynmat.c as phonopy

c/dynmat.c

@@ -193,8 +193,6 @@ static void add_dynmat_dd_at_q(
     double q_cart[3];
     double mm;
 
-    q_dir_cart = NULL;
-
     dd = (double(*)[2])malloc(sizeof(double[2]) * num_patom * num_patom * 9);
     get_q_cart(q_cart, q, reciprocal_lattice);
     dym_get_recip_dipole_dipole(dd, dd_q0, G_list, num_G_points, num_patom,
@@ -218,29 +216,6 @@ static void add_dynmat_dd_at_q(
     dd = NULL;
 }
 
-long dym_get_dynamical_matrices_openmp_over_qpoints(
-    double (*dynamical_matrices)[2],  // [q-points, num_band, num_band,
-                                      // (real, imag)]
-    const long num_patom, const long num_satom, const double *fc,
-    const double (*qpoints)[3], const long n_qpoints, const double (*svecs)[3],
-    const long (*multi)[2], const double *mass, const long *s2p_map,
-    const long *p2s_map, const double (*charge_sum)[3][3]) {
-    long i, adrs_shift;
-
-    adrs_shift = num_patom * num_patom * 9;
-
-#ifdef _OPENMP
-#pragma omp parallel for
-#endif
-    for (i = 0; i < n_qpoints; i++) {
-        dym_get_dynamical_matrix_at_q(
-            dynamical_matrices + adrs_shift * i, num_patom, num_satom, fc,
-            qpoints[i], svecs, multi, mass, s2p_map, p2s_map, charge_sum, 0);
-    }
-
-    return 0;
-}
-
 /// @brief charge_sum is NULL if G-L NAC or no-NAC.
 long dym_get_dynamical_matrix_at_q(double (*dynamical_matrix)[2],
                                    const long num_patom, const long num_satom,

c/dynmat.h

@@ -45,11 +45,6 @@ long dym_dynamical_matrices_with_dd_openmp_over_qpoints(
     const double *q_direction, const double nac_factor,
     const double (*dd_q0)[2], const double (*G_list)[3],
     const long num_G_points, const double lambda, const long use_Wang_NAC);
-long dym_get_dynamical_matrices_openmp_over_qpoints(
-    double (*dynamical_matrices)[2], const long num_patom, const long num_satom,
-    const double *fc, const double (*qpoints)[3], const long n_qpoints,
-    const double (*svecs)[3], const long (*multi)[2], const double *mass,
-    const long *s2p_map, const long *p2s_map, const double (*charge_sum)[3][3]);
 long dym_get_dynamical_matrix_at_q(double (*dynamical_matrix)[2],
                                    const long num_patom, const long num_satom,
                                    const double *fc, const double q[3],

test/phonon/test_velocity_operator.py

@@ -401,7 +401,7 @@ def test_gv_operator_si(ph_si: Phonopy):
         ph_si.dynamical_matrix, symmetry=ph_si.primitive_symmetry
     )
 
-    ph_si.dynamical_matrix.run([[0.1, 0.22, 0.33]])
+    ph_si.dynamical_matrix.run([0.1, 0.22, 0.33])
     dm = ph_si.dynamical_matrix.dynamical_matrix
     eigvals, eigvecs = np.linalg.eigh(dm)