Map C1 matrices into contiguous stacks

src/include/Commons.h

@@ -42,6 +42,15 @@ protected:
   int lm;
   //! \brief NLMMT. QUESTION: definition?
   int nlmmt;
+  //! \brief Contiguous RMI vector.
+  dcomplex *vec_rmi;
+  //! \brief Contiguous REI vector.
+  dcomplex *vec_rei;
+  //! \brief Contiguous W vector.
+  dcomplex *vec_w;
+  //! \brief Contiguous VINTS vector
+  dcomplex *vec_vints;
+  
 public:
   //! \brief QUESTION: definition?
   dcomplex **rmi;

src/libnptm/Commons.cpp

@@ -25,25 +25,29 @@ C1::C1(int ns, int l_max, int *_nshl, int *_iog) {
   nsph = ns;
   lm = l_max;
 
+  vec_rmi = new dcomplex[nsph * lm]();
+  vec_rei = new dcomplex[nsph * lm]();
   rmi = new dcomplex*[lm];
   rei = new dcomplex*[lm];
   for (int ri = 0; ri < lm; ri++) {
-    rmi[ri] = new dcomplex[nsph]();
-    rei[ri] = new dcomplex[nsph]();
+    rmi[ri] = &(vec_rmi[nsph * ri]);
+    rei[ri] = &(vec_rei[nsph * ri]);
   }
+  vec_w = new dcomplex[4 * nlmmt]();
   w = new dcomplex*[nlmmt];
-  for (int wi = 0; wi < nlmmt; wi++) w[wi] = new dcomplex[4]();
+  for (int wi = 0; wi < nlmmt; wi++) w[wi] = &(vec_w[4 * wi]);
   int configurations = 0;
   for (int ci = 1; ci <= nsph; ci++) {
     if (_iog[ci - 1] >= ci) configurations++;
   }
+  vec_vints = new dcomplex[nsph * 16]();
   vints = new dcomplex*[nsph];
   rc = new double*[configurations];
   nshl = new int[configurations]();
   iog = new int[nsph]();
   int conf_index = 0;
   for (int vi = 0; vi < nsph; vi++) {
-    vints[vi] = new dcomplex[16]();
+    vints[vi] = &(vec_vints[vi * 16]);
     iog[vi] = _iog[vi];
     if (iog[vi] >= vi + 1) {
       nshl[conf_index] = _nshl[conf_index];
@@ -73,9 +77,12 @@ C1::C1(int ns, int l_max, int *_nshl, int *_iog) {
 }
 
 C1::~C1() {
+  delete[] vec_rmi;
+  delete[] vec_rei;
   delete[] rmi;
   delete[] rei;
-  for (int wi = nlmmt - 1; wi > -1; wi--) delete[] w[wi];
+  delete[] vec_w;
+  delete[] w;
   int conf_index = 0;
   for (int ci = 1; ci <= nsph; ci++) {
     if (iog[ci] >= ci) {
@@ -84,9 +91,7 @@ C1::~C1() {
     }
   }
   delete[] rc;
-  for (int vi = nsph - 1; vi > - 1; vi--) {
-    delete[] vints[vi];
-  }
+  delete[] vec_vints;
   delete[] vints;
   for (int si = nsph - 1; si > -1; si--) {
     delete[] sas[si][1];