Apply clang-format

SM_MaponiA3.cpp

@@ -4,88 +4,90 @@
 #include "SM_MaponiA3.hpp"
 #include "Helpers.hpp"
 
-void MaponiA3(double *Slater0, double *Slater_inv, unsigned int M, unsigned int N_updates, double *Updates, unsigned int *Updates_index) {
+void MaponiA3(double *Slater0, double *Slater_inv, unsigned int M,
+              unsigned int N_updates, double *Updates,
+              unsigned int *Updates_index) {
 
   unsigned int k, l, lbar, i, j, tmp = M;
-    unsigned int *p = new unsigned int[M+1];
+  unsigned int *p = new unsigned int[M + 1];
   double alpha, beta;
-    double *breakdown = new double[M+1];
+  double *breakdown = new double[M + 1];
-    double *Al = new double[M*M];
+  double *Al = new double[M * M];
   p[0] = 0;
   for (i = 0; i < M; i++) {
-        p[i+1] = i + 1;
+    p[i + 1] = i + 1;
   }
 
   // Declare auxiliary solution matrix ylk
-    double ***ylk = new double**[M];
+  double ***ylk = new double **[M];
   for (l = 0; l < M; l++) {
-        ylk[l] = new double*[M+1];
+    ylk[l] = new double *[M + 1];
-        for (k = 0; k < M+1; k++) {
+    for (k = 0; k < M + 1; k++) {
-            ylk[l][k] = new double[M+1];
+      ylk[l][k] = new double[M + 1];
     }
   }
 
   // Initialize ylk with zeros
   for (l = 0; l < M; l++) {
-        for (k = 0; k < M+1; k++) {
+    for (k = 0; k < M + 1; k++) {
-            for (i = 0; i < M+1; i++) {
+      for (i = 0; i < M + 1; i++) {
         ylk[l][k][i] = 0;
       }
     }
   }
 
   // Calculate all the y0k in M^2 multiplications instead of M^3
-    for (k = 1; k < M+1; k++) {
+  for (k = 1; k < M + 1; k++) {
-        for (i = 1; i < M+1; i++) {
+    for (i = 1; i < M + 1; i++) {
-            ylk[0][k][i] = Slater_inv[(i-1)*M+(i-1)] * Updates[(i-1)*M+(k-1)];
+      ylk[0][k][i] =
+          Slater_inv[(i - 1) * M + (i - 1)] * Updates[(i - 1) * M + (k - 1)];
     }
   }
 
   // Calculate all the ylk from the y0k
   for (l = 1; l < M; l++) {
-        for (j = l; j < M+1; j++) {
+    for (j = l; j < M + 1; j++) {
-            breakdown[j] = abs( 1 + ylk[l-1][p[j]][p[j]] );
+      breakdown[j] = abs(1 + ylk[l - 1][p[j]][p[j]]);
     }
-        lbar = getMaxIndex(breakdown, M+1);
+    lbar = getMaxIndex(breakdown, M + 1);
     for (i = 0; i < M; i++) {
       breakdown[i] = 0;
     }
     tmp = p[l];
     p[l] = p[lbar];
     p[lbar] = tmp;
-        for (k = l+1; k < M+1; k++) {
+    for (k = l + 1; k < M + 1; k++) {
-            beta = 1 + ylk[l-1][p[l]][p[l]];
+      beta = 1 + ylk[l - 1][p[l]][p[l]];
       if (beta == 0) {
         cout << "Break-down condition occured. Exiting..." << endl;
         exit;
       }
-            for (i = 1; i < M+1; i++) {
+      for (i = 1; i < M + 1; i++) {
-                alpha = ylk[l-1][p[k]][p[l]] / beta;
+        alpha = ylk[l - 1][p[k]][p[l]] / beta;
-                ylk[l][p[k]][i] = ylk[l-1][p[k]][i] - alpha * ylk[l-1][p[l]][i];
+        ylk[l][p[k]][i] = ylk[l - 1][p[k]][i] - alpha * ylk[l - 1][p[l]][i];
       }
     }
   }
 
-    // Keep the memory location of the passed array 'Slater_inv' before 'Slater_inv'
+  // Keep the memory location of the passed array 'Slater_inv' before
-    // gets reassigned by 'matMul(...)' in the next line, by creating a new
+  // 'Slater_inv' gets reassigned by 'matMul(...)' in the next line, by creating
-    // pointer 'copy' that points to whereever 'Slater_inv' points to now.
+  // a new pointer 'copy' that points to whereever 'Slater_inv' points to now.
   double *copy = Slater_inv;
 
-    double *U = new double[M*M];
+  double *U = new double[M * M];
   // Construct A-inverse from A0-inverse and the ylk
   for (l = 0; l < M; l++) {
-        k = l+1;
+    k = l + 1;
     for (unsigned int i = 0; i < M; i++) {
       for (unsigned int j = 0; j < M; j++) {
-            U[i*M+j] = ylk[l][p[k]][i+1] * ((p[k]-1) == j);
+        U[i * M + j] = ylk[l][p[k]][i + 1] * ((p[k] - 1) == j);
       }
     }
 
-
     beta = 1 + ylk[l][p[k]][p[k]];
     for (i = 0; i < M; i++) {
       for (j = 0; j < M; j++) {
-                Al[i*M+j] = (i == j) - U[i*M+j] / beta;
+        Al[i * M + j] = (i == j) - U[i * M + j] / beta;
       }
     }
     Slater_inv = matMul(Al, Slater_inv, M);
@@ -94,23 +96,25 @@ void MaponiA3(double *Slater0, double *Slater_inv, unsigned int M, unsigned int
   // Assign the new values of 'Slater_inv' to the old values in 'copy[][]'
   for (i = 0; i < M; i++) {
     for (j = 0; j < M; j++) {
-        copy[i*M+j] = Slater_inv[i*M+j];
+      copy[i * M + j] = Slater_inv[i * M + j];
     }
   }
 
   for (l = 0; l < M; l++) {
-        for (k = 0; k < M+1; k++) {
+    for (k = 0; k < M + 1; k++) {
-            delete [] ylk[l][k];
+      delete[] ylk[l][k];
     }
-        delete [] ylk[l];
+    delete[] ylk[l];
   }
-    delete [] Al, U;
+  delete[] Al, U;
-    delete [] p, breakdown;
+  delete[] p, breakdown;
 }
 
 extern "C" {
-  void MaponiA3_f(double **linSlater0, double **linSlater_inv, unsigned int *Dim, unsigned int *N_updates, double **linUpdates, unsigned int **Updates_index)
+void MaponiA3_f(double **linSlater0, double **linSlater_inv, unsigned int *Dim,
-  {
+                unsigned int *N_updates, double **linUpdates,
-    MaponiA3(*linSlater0, *linSlater_inv, *Dim, *N_updates, *linUpdates, *Updates_index);
+                unsigned int **Updates_index) {
-  }
+  MaponiA3(*linSlater0, *linSlater_inv, *Dim, *N_updates, *linUpdates,
+           *Updates_index);
+}
 }

SM_MaponiA3.hpp

@@ -1 +1,3 @@
-void MaponiA3(double *Slater0, double *Slater_inv, unsigned int M, unsigned int N_updates, double *Updates, unsigned int *Updates_index);
+void MaponiA3(double *Slater0, double *Slater_inv, unsigned int M,
+              unsigned int N_updates, double *Updates,
+              unsigned int *Updates_index);