TREX/qmckl
1
0
Fork 0
mirror of https://github.com/TREX-CoE/qmckl.git synced 2024-11-03 20:54:09 +01:00
Code Issues Projects Releases Wiki Activity

Fix debug build

Browse Source 
Added missing preprocessor wrapper
This commit is contained in:
q-posev 2022-03-01 14:17:38 +01:00
parent 7628b61742
commit 5b6f530255
1 changed files with 4 additions and 0 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

4
org/qmckl_ao.org
View File

@ -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"))