Merge branch 'master' of github.com:TREX-CoE/qmckl

org/qmckl_ao.org

@@ -1848,6 +1848,20 @@ qmckl_exit_code qmckl_get_ao_basis_shell_vgl(qmckl_context context, double* cons
 }
     #+end_src
 
+    #+begin_src f90 :tangle (eval fh_func) :comments org :exports none
+    interface
+      integer(c_int32_t) function qmckl_get_ao_basis_shell_vgl (context, shell_vgl) &
+          bind(C)
+        use, intrinsic :: iso_c_binding
+        import
+        implicit none
+
+        integer (c_int64_t) , intent(in)  , value :: context
+        double precision,     intent(out)         :: shell_vgl(*)
+      end function
+    end interface
+    #+end_src
+
 *** Provide
 
     #+begin_src c :comments org :tangle (eval h_private_func) :noweb yes :exports none

org/qmckl_electron.org

@@ -608,6 +608,30 @@ qmckl_set_electron_rescale_factor_en(qmckl_context context,
 
   return QMCKL_SUCCESS;
 }
+   #+end_src
+
+   #+begin_src f90 :comments org :tangle (eval fh_func) :noweb yes
+interface
+  integer(c_int32_t) function qmckl_set_electron_num(context, alpha, beta) bind(C)
+    use, intrinsic :: iso_c_binding
+    import
+    implicit none
+
+    integer (c_int64_t) , intent(in)  , value :: context                                  
+    integer (c_int64_t) , intent(in)  , value :: alpha
+    integer (c_int64_t) , intent(in)  , value :: beta 
+  end function
+end interface
+interface
+  integer(c_int32_t) function qmckl_set_electron_walk_num(context, walk_num) bind(C)
+    use, intrinsic :: iso_c_binding
+    import
+    implicit none
+
+    integer (c_int64_t) , intent(in)  , value :: context                                  
+    integer (c_int64_t) , intent(in)  , value :: walk_num
+  end function
+end interface
    #+end_src
 
     The following function sets the electron coordinates of all the
@@ -697,6 +721,20 @@ qmckl_set_electron_coord(qmckl_context context, const char transp, const double*
 }
    #+end_src
 
+   #+begin_src f90 :comments org :tangle (eval fh_func) :noweb yes
+interface
+  integer(c_int32_t) function qmckl_set_electron_coord(context, transp, coord) bind(C)
+    use, intrinsic :: iso_c_binding
+    import
+    implicit none
+
+    integer (c_int64_t) , intent(in)  , value :: context                                  
+    character           , intent(in)  , value :: transp 
+    double precision    , intent(in)          :: coord(*)
+  end function
+end interface
+   #+end_src
+
 ** Test
 
    #+begin_src python :results output :exports none