From 485571f7715099ee87747376dd8ca7465b7774a9 Mon Sep 17 00:00:00 2001
From: Anthony Scemama <scemama@irsamc.ups-tlse.fr>
Date: Thu, 13 Oct 2022 11:31:44 +0200
Subject: [PATCH] Added restrict in AOs sparse

---
 org/qmckl_ao.org | 16 ++++++++--------
 1 file changed, 8 insertions(+), 8 deletions(-)

diff --git a/org/qmckl_ao.org b/org/qmckl_ao.org
index 8be2a86..d355219 100644
--- a/org/qmckl_ao.org
+++ b/org/qmckl_ao.org
@@ -5718,8 +5718,8 @@ qmckl_compute_ao_value_hpc_gaussian (const qmckl_context context,
     double exp_mat[prim_max] __attribute__((aligned(64)));
     double ce_mat[shell_max] __attribute__((aligned(64)));
 
-    int coef_mat_sparse_idx[nucl_num][shell_max][prim_max+1];
-    double coef_mat_sparse [nucl_num][shell_max][prim_max+1];
+    int32_t coef_mat_sparse_idx[nucl_num][shell_max][prim_max+1] __attribute__((aligned(64)));
+    double  coef_mat_sparse    [nucl_num][shell_max][prim_max+1] __attribute__((aligned(64)));
     for (int i=0 ; i<nucl_num ; ++i) {
       for (int j=0 ; j<shell_max; ++j) {
         int l=1;
@@ -5814,8 +5814,8 @@ qmckl_compute_ao_value_hpc_gaussian (const qmckl_context context,
 
         for (int i=0 ; i<nucleus_shell_num[inucl] ; ++i) {
           ce_mat[i] = 0.;
-          const int* idx = &(coef_mat_sparse_idx[inucl][i][0]);
-          const double* v = &(coef_mat_sparse[inucl][i][0]);
+          const int32_t* restrict idx = &(coef_mat_sparse_idx[inucl][i][0]);
+          const double*  restrict v = &(coef_mat_sparse[inucl][i][0]);
           for (int l=1 ; l<coef_mat_sparse_idx[inucl][i][0]; ++l) {
             const int k = idx[l];
             if (k >= nidx) break;
@@ -6508,8 +6508,8 @@ qmckl_compute_ao_vgl_hpc_gaussian (
     double exp_mat[prim_max][8] __attribute__((aligned(64))) ;
     double ce_mat[shell_max][8] __attribute__((aligned(64))) ;
 
-    double coef_mat_sparse[nucl_num][shell_max][prim_max+1];
-    int coef_mat_sparse_idx[nucl_num][shell_max][prim_max+1];
+    int32_t coef_mat_sparse_idx[nucl_num][shell_max][prim_max+1] __attribute__((aligned(64)));
+    double  coef_mat_sparse    [nucl_num][shell_max][prim_max+1] __attribute__((aligned(64)));
     for (int i=0 ; i<nucl_num ; ++i) {
       for (int j=0 ; j<shell_max; ++j) {
         int l=1;
@@ -6642,8 +6642,8 @@ qmckl_compute_ao_vgl_hpc_gaussian (
           for (int j=0 ; j<8 ; ++j) {
             ce_mat[i][j] = 0.;
           }
-          const int* idx = &(coef_mat_sparse_idx[inucl][i][0]);
-          const double* v = &(coef_mat_sparse[inucl][i][0]);
+          const int32_t* restrict idx = &(coef_mat_sparse_idx[inucl][i][0]);
+          const double* restrict v = &(coef_mat_sparse[inucl][i][0]);
           for (int l=1 ; l<idx[0]; ++l) {
             const int k = idx[l];
             if (k >= nidx) break;