Merge pull request #59 from GianFree/compute_asymp_jasb_c

qmckl_compute_asymp_jasb_f to C

org/qmckl_jastrow.org

@@ -13,7 +13,6 @@ these factors along with their derivatives.
 (org-babel-lob-ingest "../tools/lib.org")
 #+end_src
 
-
   #+begin_src c :tangle (eval h_private_func)
 #ifndef QMCKL_JASTROW_HPF
 #define QMCKL_JASTROW_HPF
@@ -1304,42 +1303,54 @@ integer function qmckl_compute_asymp_jasb_f(context, bord_num, bord_vector, resc
 end function qmckl_compute_asymp_jasb_f
     #+end_src
 
-    #+CALL: generate_c_header(table=qmckl_asymp_jasb_args,rettyp=get_value("CRetType"),fname=get_value("Name"))
-
-    #+RESULTS:
-    #+BEGIN_src c :tangle (eval h_func) :comments org
-    qmckl_exit_code qmckl_compute_asymp_jasb (
+#+begin_src c :comments org :tangle (eval c) :noweb yes
+qmckl_exit_code qmckl_compute_asymp_jasb (
 	  const qmckl_context context,
 	  const int64_t bord_num,
 	  const double* bord_vector,
 	  const double rescale_factor_kappa_ee,
-	  double* const asymp_jasb );
-    #+END_src
+	  double* const asymp_jasb ) {
 
+    double    kappa_inv, x, asym_one;
 
-    #+CALL: generate_c_interface(table=qmckl_asymp_jasb_args,rettyp=get_value("CRetType"),fname=get_value("Name"))
+    kappa_inv = 1.0 / rescale_factor_kappa_ee;
 
-    #+RESULTS:
-    #+BEGIN_src f90 :tangle (eval f) :comments org :exports none
-    integer(c_int32_t) function qmckl_compute_asymp_jasb &
-	(context, bord_num, bord_vector, rescale_factor_kappa_ee, asymp_jasb) &
-	bind(C) result(info)
+    if (context == QMCKL_NULL_CONTEXT){
+      return QMCKL_INVALID_CONTEXT;
+    }
 
-      use, intrinsic :: iso_c_binding
-      implicit none
+    if (bord_num <= 0) {
+      return QMCKL_INVALID_ARG_2;
+    }
 
-      integer (c_int64_t) , intent(in)  , value :: context
-      integer (c_int64_t) , intent(in)  , value :: bord_num
-      real    (c_double ) , intent(in)          :: bord_vector(bord_num + 1)
-      real    (c_double ) , intent(in)  , value :: rescale_factor_kappa_ee
-      real    (c_double ) , intent(out)         :: asymp_jasb(2)
+    asym_one = bord_vector[0] * kappa_inv / (1.0 + bord_vector[1] * kappa_inv);
+    asymp_jasb[0] = asym_one; 
+    asymp_jasb[1] = 0.5 * asym_one;
 
-      integer(c_int32_t), external :: qmckl_compute_asymp_jasb_f
-      info = qmckl_compute_asymp_jasb_f &
-	     (context, bord_num, bord_vector, rescale_factor_kappa_ee, asymp_jasb)
+    for (int i = 0 ; i <= 1; ++i) {
+      x = kappa_inv;
+      for (int p = 1; p < bord_num; ++p){
+        x = x * kappa_inv;
+        asymp_jasb[i] = asymp_jasb[i] + bord_vector[p + 1] * x;
+      }
+    } 
+
+  return QMCKL_SUCCESS;
+}
+#+end_src
+
+    #+CALL: generate_c_header(table=qmckl_asymp_jasb_args,rettyp=get_value("CRetType"),fname=get_value("Name"))
+
+    #+RESULTS:
+    #+begin_src c :tangle (eval h_func) :comments org
+    qmckl_exit_code qmckl_compute_asymp_jasb (
+	  const qmckl_context context,
+	  const int64_t bord_num,
+	  const double* bord_vector,
+	  const double rescale_factor_kappa_ee,
+	  double* const asymp_jasb ); 
+    #+end_src
 
-    end function qmckl_compute_asymp_jasb
-    #+END_src
 
 *** Test
     #+name: asymp_jasb