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