diff --git a/org/qmckl_ao.org b/org/qmckl_ao.org index a79549a..7cc7eef 100644 --- a/org/qmckl_ao.org +++ b/org/qmckl_ao.org @@ -5376,6 +5376,7 @@ end function qmckl_compute_ao_vgl_doc_f | ~ao_vgl~ | ~double[point_num][5][ao_num]~ | out | Value, gradients and Laplacian of the AOs | #+begin_src c :comments org :tangle (eval c) :noweb yes :exports none +#ifdef HAVE_HPC qmckl_exit_code qmckl_compute_ao_vgl_hpc_gaussian ( const qmckl_context context, @@ -5655,6 +5656,7 @@ qmckl_compute_ao_vgl_hpc_gaussian ( } return QMCKL_SUCCESS; } +#endif #+end_src ** Interfaces @@ -5681,6 +5683,7 @@ qmckl_compute_ao_vgl_hpc_gaussian ( double* const ao_vgl ); #+end_src #+begin_src c :tangle (eval h_private_func) :comments org +#ifdef HAVE_HPC qmckl_exit_code qmckl_compute_ao_vgl_hpc_gaussian ( const qmckl_context context, const int64_t ao_num, @@ -5701,6 +5704,7 @@ qmckl_compute_ao_vgl_hpc_gaussian ( const double* expo, const double* coef_normalized, double* const ao_vgl ); +#endif #+end_src #+CALL: generate_c_interface(table=qmckl_ao_vgl_args_doc,rettyp=get_value("CRetType"),fname="qmckl_compute_ao_vgl_doc"))