From e5f5231d92c301c958ae053779d3d5e1769dcf05 Mon Sep 17 00:00:00 2001
From: Atsushi Togo <atz.togo@gmail.com>
Date: Fri, 5 Mar 2021 08:05:38 +0900
Subject: [PATCH] Minor refactoring of C part

---
 c/phono3py.c       |  2 +-
 c/triplet.c        | 15 +++------------
 c/triplet_kpoint.c | 16 ++++++++++++----
 c/triplet_kpoint.h |  4 ++--
 4 files changed, 18 insertions(+), 19 deletions(-)

diff --git a/c/phono3py.c b/c/phono3py.c
index 943dc3f5..4633cba3 100644
--- a/c/phono3py.c
+++ b/c/phono3py.c
@@ -36,12 +36,12 @@
 #include "lapack_wrapper.h"
 #include "phonoc_array.h"
 
+#include "bzgrid.h"
 #include "collision_matrix.h"
 #include "fc3.h"
 #include "interaction.h"
 #include "imag_self_energy_with_g.h"
 #include "isotope.h"
-#include "bzgrid.h"
 #include "pp_collision.h"
 #include "real_self_energy.h"
 #include "grgrid.h"
diff --git a/c/triplet.c b/c/triplet.c
index 28206319..37869b28 100644
--- a/c/triplet.c
+++ b/c/triplet.c
@@ -34,7 +34,6 @@
 /* ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE */
 /* POSSIBILITY OF SUCH DAMAGE. */
 
-#include "bzgrid.h"
 #include "grgrid.h"
 #include "triplet.h"
 #include "triplet_iw.h"
@@ -231,13 +230,7 @@ static long get_triplets_reciprocal_mesh_at_q(long *map_triplets,
                                               GRGCONST long (*rotations)[3][3],
                                               const long swappable)
 {
-  MatLONG *rot_real;
-  long i, num_ir;
-
-  rot_real = bzg_alloc_MatLONG(num_rot);
-  for (i = 0; i < num_rot; i++) {
-    bzg_copy_matrix_l3(rot_real->mat[i], rotations[i]);
-  }
+  long num_ir;
 
   num_ir = tpk_get_ir_triplets_at_q(map_triplets,
                                     map_q,
@@ -245,10 +238,8 @@ static long get_triplets_reciprocal_mesh_at_q(long *map_triplets,
                                     grid_point,
                                     mesh,
                                     is_time_reversal,
-                                    rot_real,
+                                    rotations,
+                                    num_rot,
                                     swappable);
-
-  bzg_free_MatLONG(rot_real);
-
   return num_ir;
 }
diff --git a/c/triplet_kpoint.c b/c/triplet_kpoint.c
index c62a4a32..270c1802 100644
--- a/c/triplet_kpoint.c
+++ b/c/triplet_kpoint.c
@@ -200,13 +200,20 @@ long tpk_get_ir_triplets_at_q(long *map_triplets,
                               const long grid_point,
                               const long mesh[3],
                               const long is_time_reversal,
-                              const MatLONG * rotations,
+                              GRGCONST long (*rotations)[3][3],
+                              const long num_rot,
                               const long swappable)
 {
-  long num_ir;
-  MatLONG *rot_reciprocal;
+  long i, num_ir;
+  MatLONG *rot_real, *rot_reciprocal;
+
+  rot_real = bzg_alloc_MatLONG(num_rot);
+  for (i = 0; i < num_rot; i++) {
+    bzg_copy_matrix_l3(rot_real->mat[i], rotations[i]);
+  }
+  rot_reciprocal = bzg_get_point_group_reciprocal(rot_real, is_time_reversal);
+  bzg_free_MatLONG(rot_real);
 
-  rot_reciprocal = bzg_get_point_group_reciprocal(rotations, is_time_reversal);
   num_ir = get_ir_triplets_at_q(map_triplets,
                                 map_q,
                                 grid_address,
@@ -215,6 +222,7 @@ long tpk_get_ir_triplets_at_q(long *map_triplets,
                                 rot_reciprocal,
                                 swappable);
   bzg_free_MatLONG(rot_reciprocal);
+
   return num_ir;
 }
 
diff --git a/c/triplet_kpoint.h b/c/triplet_kpoint.h
index 23004153..e01fc72a 100644
--- a/c/triplet_kpoint.h
+++ b/c/triplet_kpoint.h
@@ -37,7 +37,6 @@
 #ifndef __triplet_kpoint_H__
 #define __triplet_kpoint_H__
 
-#include "bzgrid.h"
 #include "grgrid.h"
 
 long tpk_get_ir_triplets_at_q(long *map_triplets,
@@ -46,7 +45,8 @@ long tpk_get_ir_triplets_at_q(long *map_triplets,
                               const long grid_point,
                               const long mesh[3],
                               const long is_time_reversal,
-                              const MatLONG * rotations,
+                              GRGCONST long (*rotations)[3][3],
+                              const long num_rot,
                               const long swappable);
 long tpk_get_BZ_triplets_at_q(long (*triplets)[3],
                               const long grid_point,