Update of A0_inv fixed. matMul(...) breaks link between A0_inv and Slater_inv. Fixed by creating a new pointer that points to where Slater_inv points to before it gets reassigned by matMul(...) and then copy the updated elements back to the passed array pointed to by the new pointer.

Helpers.hpp

@@ -72,7 +72,6 @@ T** matMul(T** A, T** B, unsigned int size) {
             }
         }
     }
-    showMatrix(C, size, "C");
     return C;
 }
 

SM-MaponiA3.cpp

@@ -7,20 +7,15 @@
 void Sherman_Morrison(int **Slater0, double **Slater_inv, unsigned int *Dim, unsigned int *N_updates, int **Updates, unsigned int *Updates_index) {
     unsigned int k, l, lbar, i, j, tmp, M = *Dim;
     unsigned int *p = new unsigned int[M+1];
-    double *breakdown = new double[M+1];
+    unsigned int **Id = new unsigned int*[M];
     double alpha, beta;
-
+    double **U, *breakdown = new double[M+1];
-    for (i = 0; i < M+1; i++) {
+    double **Al = new double*[M];
-        p[i] = i;
+    p[0] = 0;
-    }
-
-    int **Id = new int*[M];
-    for (i = 0; i < M; i++) Id[i] = new int[M];
     for (i = 0; i < M; i++) {
-        for (j = 0; j < M; j++) {
+        p[i+1] = i + 1;
-            if (i != j) Id[i][j] = 0;
+        Id[i] = new unsigned int[M];
-            else Id[i][j] = 1;
+        Al[i] = new double[M];
-        }
     }
 
     // Declare auxiliary solution matrix ylk
@@ -31,6 +26,15 @@ void Sherman_Morrison(int **Slater0, double **Slater_inv, unsigned int *Dim, uns
             ylk[l][k] = new double[M+1];
         }
     }
+
+    // Initialize identity matrix
+    for (i = 0; i < M; i++) {
+        for (j = 0; j < M; j++) {
+            if (i != j) Id[i][j] = 0;
+            else Id[i][j] = 1;
+        }
+    }
+    
     // Initialize ylk with zeros
     for (l = 0; l < M; l++) {
         for (k = 0; k < M+1; k++) {
@@ -73,9 +77,10 @@ void Sherman_Morrison(int **Slater0, double **Slater_inv, unsigned int *Dim, uns
     }
 
     // Construct A-inverse from A0-inverse and the ylk
-    double **U;
+    // Keep the memory location of the passed array 'Slater_inv' before 'Slater_inv'
-    double **Al = new double*[M];
+    // gets reassigned by 'matMul(...)' in the next line, by creating a new
-    for (i = 0; i < M; i++) Al[i] = new double[M];
+    // pointer 'copy' that points to whereever 'Slater_inv' points to now.
+    double **copy = Slater_inv;
 
     for (l = 0; l < M; l++) {
         k = l+1;
@@ -86,23 +91,21 @@ void Sherman_Morrison(int **Slater0, double **Slater_inv, unsigned int *Dim, uns
                 Al[i][j] = Id[i][j] - U[i][j] / beta;
             }
         }
-        showMatrix(Slater_inv, M, "Slater_inv");
         Slater_inv = matMul(Al, Slater_inv, M);
-        showMatrix(Slater_inv, M, "Slater_inv");
     }
 
-    delete [] p, breakdown;
+    // Assign the new values of 'Slater_inv' to the old values in 'copy[][]'
-
     for (i = 0; i < M; i++) {
-        delete [] Id[i];
+        for (j = 0; j < M; j++) {
-        delete [] U[i];
+            copy[i][j] = Slater_inv[i][j];
-        delete [] Al[i];
+        }
     }
 
     for (l = 0; l < M; l++) {
         for (k = 0; k < M+1; k++) {
             delete [] ylk[l][k];
         }
-        delete [] ylk[l];
+        delete [] ylk[l], Id[l], U[l], Al[l], Slater_inv[l];
     }
+    delete [] p, breakdown;
 }

main.cpp

@@ -66,7 +66,6 @@ int main() {
     unsigned int *dim = new unsigned int(M);
     unsigned int *n_updates = new unsigned int(M);
     Sherman_Morrison(A0, A0_inv, dim, n_updates, Ar, Ar_index);
-    
     showMatrix(A0_inv, M, "A0_inv");
     
     // Deallocate all vectors and matrices