From 04d2ec2d7098f2ac3f8e1539ab139aa35dfabe45 Mon Sep 17 00:00:00 2001
From: vijay gopal chilkuri <vijay.gopal.c@gmail.com>
Date: Tue, 20 Jul 2021 19:34:51 +0200
Subject: [PATCH] Added an example usage of qmckl_sherman_morrison function as
 a test. #25

---
 org/qmckl_sherman_morrison_woodbury.org | 30 ++++++++++++++++++-------
 1 file changed, 22 insertions(+), 8 deletions(-)

diff --git a/org/qmckl_sherman_morrison_woodbury.org b/org/qmckl_sherman_morrison_woodbury.org
index bebfc70..e5c221b 100644
--- a/org/qmckl_sherman_morrison_woodbury.org
+++ b/org/qmckl_sherman_morrison_woodbury.org
@@ -25,6 +25,7 @@ int main() {
   qmckl_context context;
   context = qmckl_context_create();
 
+  qmckl_exit_code rc;
   #+end_src
 
 * Sherman-Morrison Helper Functions
@@ -58,7 +59,7 @@ This function is used to set the threshold value that is used in the kernels to
 #define THRESHOLD 1e-3
 #endif
 
-    qmckl_exit_code qmckl_sherman_morrison_threshold (
+    qmckl_exit_code qmckl_sherman_morrison_threshold_c (
 	  double* const thresh ); 
     #+end_src
 
@@ -83,11 +84,12 @@ end function qmckl_sherman_morrison_threshold_f
 #include "qmckl.h"
 
 // Sherman-Morrison-Woodbury break-down threshold
-static double qmckl_shreman_morrison_threshold(double* const threshold) {
+qmckl_exit_code qmckl_sherman_morrison_threshold_c(double* const threshold) {
   *threshold = THRESHOLD;
 // #ifdef DEBUG
 //   std::cerr << "Break-down threshold set to: " << threshold << std::endl;
 // #endif
+return QMCKL_SUCCESS;
 }
     #+end_src
 
@@ -109,8 +111,8 @@ static double qmckl_shreman_morrison_threshold(double* const threshold) {
 
      real    (c_double ) , intent(out)         :: thresh
 
-     integer(c_int32_t), external :: qmckl_sherman_morrison_threshold_f
-     info = qmckl_sherman_morrison_threshold_f &
+     integer(c_int32_t), external :: qmckl_sherman_morrison_threshold_c
+     info = qmckl_sherman_morrison_threshold_c &
 	    (thresh)
 
    end function qmckl_sherman_morrison_threshold
@@ -193,7 +195,7 @@ integer function qmckl_sherman_morrison_f(context, Slater_inv, Dim, N_updates,
   use qmckl
   implicit none
   integer(qmckl_context)  , intent(in)  :: context
-  integer*8  , intent(in)  :: Dim, N_updates
+  integer*8  , intent(in), value  :: Dim, N_updates
   integer*8  , intent(in)  :: Updates_index(N_updates)
   real*8     , intent(in) :: Updates(N_updates*Dim)
   real*8     , intent(inout)  :: Slater_inv(Dim*Dim)
@@ -222,7 +224,7 @@ qmckl_exit_code qmckl_sherman_morrison_c(const qmckl_context context,
   double D[Dim];
 
   double threshold = 0.0;
-  qmckl_sherman_morrison_threshold(&threshold);
+  qmckl_exit_code rc = qmckl_sherman_morrison_threshold_c(&threshold);
 
   unsigned int l = 0;
   // For each update
@@ -237,8 +239,8 @@ qmckl_exit_code qmckl_sherman_morrison_c(const qmckl_context context,
 
     // Denominator
     double den = 1 + C[Updates_index[l] - 1];
-    double const thresh;
-    qmckl_sherman_morrison_threshold(&thresh);
+    double thresh = 0.0;
+    qmckl_exit_code rc = qmckl_sherman_morrison_threshold_c(&thresh);
     if (fabs(den) < thresh) {
       return QMCKL_FAILURE;
     }
@@ -322,6 +324,18 @@ qmckl_exit_code qmckl_sherman_morrison_c(const qmckl_context context,
 
 [TODO: FMJC] Write tests for the Sherman-Morrison part.
 
+
+     #+begin_src c :tangle (eval c_test)
+const uint64_t Dim = 2;
+const uint64_t N_updates = 2;
+const uint64_t Updates_index[2] = {0, 0};
+const double Updates[4] = {0.0, 0.0, 0.0, 0.0};
+double Slater_inv[4] = {0.0, 0.0, 0.0, 0.0};
+
+rc = qmckl_sherman_morrison_c(context, Dim, N_updates, Updates, Updates_index, Slater_inv);
+assert(rc == QMCKL_SUCCESS);
+     #+end_src
+
 * End of files
 
    #+begin_src c :comments link :tangle (eval c_test)