BUG FIX: reshape C1 common rc field to configuration numer

src/libnptm/Commons.cpp

@@ -31,15 +31,23 @@ C1::C1(int ns, int l_max, int *_nshl, int *_iog) {
   }
   w = new complex<double>*[nlmmt];
   for (int wi = 0; wi < nlmmt; wi++) w[wi] = new complex<double>[4]();
+  int configurations = 0;
+  for (int ci = 1; ci <= nsph; ci++) {
+    if (_iog[ci - 1] >= ci) configurations++;
+  }
   vints = new complex<double>*[nsph];
-	rc = new double*[nsph];
-	nshl = new int[nsph]();
+  rc = new double*[configurations];
+  nshl = new int[configurations]();
   iog = new int[nsph]();
+  int conf_index = 0;
   for (int vi = 0; vi < nsph; vi++) {
-		rc[vi] = new double[_nshl[vi]]();
     vints[vi] = new complex<double>[16]();
-		nshl[vi] = _nshl[vi];
     iog[vi] = _iog[vi];
+    if (iog[vi] >= vi + 1) {
+      nshl[conf_index] = _nshl[conf_index];
+      rc[conf_index] = new double[_nshl[conf_index]]();
+      conf_index++;
+    }
   }
   fsas = new complex<double>[nsph]();
   sscs = new double[nsph]();
@@ -66,11 +74,17 @@ C1::~C1() {
   delete[] rmi;
   delete[] rei;
   for (int wi = nlmmt - 1; wi > -1; wi--) delete[] w[wi];
+  int conf_index = 0;
+  for (int ci = 1; ci <= nsph; ci++) {
+    if (iog[ci] >= ci) {
+      delete[] rc[conf_index];
+      conf_index++;
+    }
+  }
+  delete[] rc;
   for (int vi = nsph - 1; vi > - 1; vi--) {
-		delete[] rc[vi];
     delete[] vints[vi];
   }
-	delete[] rc;
   delete[] vints;
   for (int si = nsph - 1; si > -1; si--) {
     delete[] sas[si][1];