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= 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= nidx) break;