Minor fix

phonopy · Dec 26, 2024 · ecb7e89 · ecb7e89
1 parent 22220ea
commit ecb7e89
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Showing 3 changed files with 8 additions and 6 deletions.
diff --git a/phono3py/phonon/grid.py b/phono3py/phonon/grid.py
@@ -679,12 +679,12 @@ def _set_mesh_numbers(
                 )
             if not use_grg or not found_grg:
                 if symmetry_dataset is None:
-                    self._D_diag = length2mesh(length, self._lattice)
+                    mesh_numbers = length2mesh(length, self._lattice)
                 else:
-                    self._D_diag = length2mesh(
+                    mesh_numbers = length2mesh(
                         length, self._lattice, rotations=symmetry_dataset.rotations
                     )
-                self._D_diag = np.array(self._D_diag, dtype="long")
+                self._D_diag = np.array(mesh_numbers, dtype="long")
         if num_values == 9:
             self._run_grg(
                 symmetry_dataset,

diff --git a/phono3py/phonon3/collision_matrix.py b/phono3py/phonon3/collision_matrix.py
@@ -107,11 +107,13 @@ def run(self):
         if self._is_reducible_collision_matrix:
             num_mesh_points = np.prod(self._pp.mesh_numbers)
             self._collision_matrix = np.zeros(
-                (num_band0, num_mesh_points, num_band), dtype="double"
+                (num_band0, num_mesh_points, num_band), dtype="double", order="C"
             )
         else:
             self._collision_matrix = np.zeros(
-                (num_band0, 3, self._num_ir_grid_points, num_band, 3), dtype="double"
+                (num_band0, 3, self._num_ir_grid_points, num_band, 3),
+                dtype="double",
+                order="C",
             )
         self._run_with_band_indices()
         self._run_collision_matrix()

diff --git a/phono3py/phonon3/triplets.py b/phono3py/phonon3/triplets.py
@@ -326,7 +326,7 @@ def _get_BZ_triplets_at_q(bz_grid_index, bz_grid: BZGrid, map_triplets):
     for g in map_triplets:
         weights[g] += 1
     ir_weights = np.extract(weights > 0, weights)
-    triplets = -np.ones((len(ir_weights), 3), dtype="long")
+    triplets = -np.ones((len(ir_weights), 3), dtype="long", order="C")
     num_ir_ret = phono3c.BZ_triplets_at_q(
         triplets,
         bz_grid_index,