Merge pull request #1 from fmgjcoppens/fix/compile

Problem fixed.

.gitignore

@@ -1,3 +1,4 @@
 *.o
 SM-MaponiA3
+Sherman-Morrison
 .vscode

SM-MaponiA3.cpp

@@ -1,128 +1,9 @@
 // SM-MaponiA3.cpp
 #include "SM-MaponiA3.hpp"
 
-uint getMaxIndex(double *arr, uint size) {
+void Sherman_Morrison(int **Slater0, double **Slater_inv, unsigned int *Dim, unsigned int *N_updates, int **Updates, unsigned int *Updates_index) {
-    uint i;     
+    unsigned int k, l, lbar, i, j, tmp, M = *Dim;
-    uint max = arr[0]; 
+    unsigned int *p = new unsigned int[M+1];
-    uint maxi = 0;
-    for (i = 1; i < size; i++) {
-        if (arr[i] > max) {
-            max = arr[i];
-            maxi = i;
-        }
-    }
-    return maxi; 
-}
-
-template<typename T>
-void showScalar(T scalar, string name) {
-    cout << name << " = " << scalar << endl << endl;
-}
-
-template<typename T>
-void showVector(T* vector, uint size, string name) {
-    cout << name << " = " << endl;
-    for (uint i = 0; i < size; i++) {
-        cout << "[ " << vector[i] << " ]" << endl;
-    }
-    cout << endl;
-}
-
-template<typename T>
-void showMatrix(T** matrix, uint size, string name) {
-    cout << name << " = " << endl;
-    for (uint i = 0; i < size; i++) {
-        cout << "[ ";
-        for (uint j = 0; j < size; j++) {
-            cout << matrix[i][j] << " ";
-        }
-        cout << " ]" << endl;
-    }
-    cout << endl;
-}
-
-template<typename T>
-void showMatrixT(T** matrix, uint size, string name) {
-    cout << name << " = " << endl;
-    for (uint i = 0; i < size; i++) {
-        cout << "[ ";
-        for (uint j = 0; j < size; j++) {
-            cout << matrix[j][i] << " ";
-        }
-        cout << " ]" << endl;
-    }
-    cout << endl;
-}
-
-template<typename T>
-T** matMul(T** A, T** B, uint size) {
-    T** C = new T*[size];
-    for (uint i = 0; i < size; i++) {
-        C[i] = new T[size];
-    }
-    for (uint i = 0; i < size; i++) {
-        for (uint j = 0; j < size; j++) {
-            for (uint k = 0; k < size; k++) {
-                C[i][j] += A[i][k] * B[k][j];
-            }
-        }
-    }
-    return C;
-}
-
-template<typename T1, typename T2>
-T1** outProd(T1* vec1, T2* vec2, uint size) {
-    T1** C = new T1*[size];
-    for (uint i = 0; i < size; i++) {
-        C[i] = new T1[size];
-    }
-    for (uint i = 0; i < size; i++) {
-        for (uint j = 0; j < size; j++) {
-            C[i][j] = vec1[i+1] * vec2[j];
-        }
-    }
-    return C;
-}
-
-template<typename T>
-T matDet(T** A, int M) {
-    int det = 0, p, h, k, i, j;
-    T** temp = new T*[M];
-    for (int i = 0; i < M; i++) temp[i] = new T[M];
-    if(M == 1) {
-        return A[0][0];
-    }
-    else if(M == 2) {
-        det = (A[0][0] * A[1][1] - A[0][1] * A[1][0]);
-        return det;
-    }
-    else {
-        for(p = 0; p < M; p++) {
-            h = 0;
-            k = 0;
-            for(i = 1; i < M; i++) {
-                for( j = 0; j < M; j++) {
-                    if(j == p) {
-                        continue;
-                    }
-                    temp[h][k] = A[i][j];
-                    k++;
-                    if(k == M-1) {
-                        h++;
-                        k = 0;
-                    }
-                }
-            }
-            det = det + A[0][p] * pow(-1, p) * matDet(temp, M-1);
-        }
-        return det;
-    }
-    delete [] temp;
-}
-
-void Sherman_Morrison(int **Slater0, double **Slater_inv, uint *Dim, uint *N_updates, int **Updates, uint *Updates_index) {
-    uint k, l, lbar, i, j, tmp, M = *Dim;
-    uint *p = new uint[M+1];
     double *breakdown = new double[M+1];
     double alpha, beta;
 
@@ -219,4 +100,4 @@ void Sherman_Morrison(int **Slater0, double **Slater_inv, uint *Dim, uint *N_upd
         }
         delete [] ylk[l];
     }
-}
+}

SM-MaponiA3.hpp

@@ -4,12 +4,124 @@
 #include <string>
 using namespace std;
 
-uint getMaxIndex(double *arr, uint size);
+void Sherman_Morrison(int **Slater0, double **Slater_inv, unsigned int *Dim, unsigned int *N_updates, int **Updates, unsigned int *Updates_index);
-template<typename T>void showScalar(T scalar, string name);
+
-template<typename T>void showVector(T *vector, uint size, string name);
+template<typename T>
-template<typename T>void showMatrix(T **matrix, uint size, string name);
+unsigned int getMaxIndex(T *vector, unsigned int size) {
-template<typename T>void showMatrixT(T **matrix, uint size, string name);
+    unsigned int i;     
-template<typename T>T **matMul(T **A, T **B, uint size);
+    unsigned int max = vector[0]; 
-template<typename T1, typename T2>T1 **outProd(T1 *vec1, T2 *vec2, uint size);
+    unsigned int maxi = 0;
-template<typename T>T matDet(T **A, int M);
+    for (i = 1; i < size; i++) {
-void Sherman_Morrison(int **Slater0, double **Slater_inv, uint *Dim, uint *N_updates, int **Updates, uint *Updates_index);
+        if (vector[i] > max) {
+            max = vector[i];
+            maxi = i;
+        }
+    }
+    return maxi; 
+}
+
+template<typename T>
+void showScalar(T scalar, string name) {
+    cout << name << " = " << scalar << endl << endl;
+}
+
+template<typename T>
+void showVector(T* vector, unsigned int size, string name) {
+    cout << name << " = " << endl;
+    for (unsigned int i = 0; i < size; i++) {
+        cout << "[ " << vector[i] << " ]" << endl;
+    }
+    cout << endl;
+}
+
+template<typename T>
+void showMatrix(T** matrix, unsigned int size, string name) {
+    cout << name << " = " << endl;
+    for (unsigned int i = 0; i < size; i++) {
+        cout << "[ ";
+        for (unsigned int j = 0; j < size; j++) {
+            cout << matrix[i][j] << " ";
+        }
+        cout << " ]" << endl;
+    }
+    cout << endl;
+}
+
+template<typename T>
+void showMatrixT(T** matrix, unsigned int size, string name) {
+    cout << name << " = " << endl;
+    for (unsigned int i = 0; i < size; i++) {
+        cout << "[ ";
+        for (unsigned int j = 0; j < size; j++) {
+            cout << matrix[j][i] << " ";
+        }
+        cout << " ]" << endl;
+    }
+    cout << endl;
+}
+
+template<typename T>
+T** matMul(T** A, T** B, unsigned int size) {
+    T** C = new T*[size];
+    for (unsigned int i = 0; i < size; i++) {
+        C[i] = new T[size];
+    }
+    for (unsigned int i = 0; i < size; i++) {
+        for (unsigned int j = 0; j < size; j++) {
+            for (unsigned int k = 0; k < size; k++) {
+                C[i][j] += A[i][k] * B[k][j];
+            }
+        }
+    }
+    return C;
+}
+
+template<typename T1, typename T2>
+T1** outProd(T1* vec1, T2* vec2, unsigned int size) {
+    T1** C = new T1*[size];
+    for (unsigned int i = 0; i < size; i++) {
+        C[i] = new T1[size];
+    }
+    for (unsigned int i = 0; i < size; i++) {
+        for (unsigned int j = 0; j < size; j++) {
+            C[i][j] = vec1[i+1] * vec2[j];
+        }
+    }
+    return C;
+}
+
+template<typename T>
+T matDet(T** A, unsigned int M) {
+    int det = 0, p, h, k, i, j;
+    T** temp = new T*[M];
+    for (int i = 0; i < M; i++) temp[i] = new T[M];
+    if(M == 1) {
+        return A[0][0];
+    }
+    else if(M == 2) {
+        det = (A[0][0] * A[1][1] - A[0][1] * A[1][0]);
+        return det;
+    }
+    else {
+        for(p = 0; p < M; p++) {
+            h = 0;
+            k = 0;
+            for(i = 1; i < M; i++) {
+                for( j = 0; j < M; j++) {
+                    if(j == p) {
+                        continue;
+                    }
+                    temp[h][k] = A[i][j];
+                    k++;
+                    if(k == M-1) {
+                        h++;
+                        k = 0;
+                    }
+                }
+            }
+            det = det + A[0][p] * pow(-1, p) * matDet(temp, M-1);
+        }
+        return det;
+    }
+    delete [] temp;
+}

main.cpp

@@ -1,20 +1,19 @@
 // Algorithm 3 from P. Maponi,
 // p. 283, doi:10.1016/j.laa.2006.07.007
 
+#include "SM-MaponiA3.hpp"
 #include <cstdlib>
 #include <ctime>
-#include "SM-MaponiA3.hpp"
-using namespace std;
 
 int main() {
 
     srand((unsigned) time(0));
-    uint randRange = 1; // to get random integers in range [-randRange, randRange]
+    unsigned int randRange = 1; // to get random integers in range [-randRange, randRange]
-    uint M = 3; // Dimension of the Slater-matrix
+    unsigned int M = 3; // Dimension of the Slater-matrix
-    uint i, j; // Indices for iterators
+    unsigned int i, j; // Indices for iterators
 
     // Declare and allocate all vectors and matrices
-    uint *Ar_index = new uint[M];
+    unsigned int *Ar_index = new unsigned int[M];
     int **A = new int*[M]; // The matrix to be inverted
     int **A0 = new int*[M]; // A diagonal matrix with the digonal elements of A
     int **Ar = new int*[M]; // The update matrix
@@ -64,8 +63,8 @@ int main() {
         }
     }
 
-    uint *dim = new uint(M);
+    unsigned int *dim = new unsigned int(M);
-    uint *n_updates = new uint(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");