naromero

Index: molecularbasis.h===================================================================--- molecularbasis.h	(revision 2736)+++ molecularbasis.h	(working copy)@@ -127,14 +127,17 @@         else {             switch (type) {             case 0:-                bf[0] =  R;-                break;+              bf[0] =  R;+              break;             case 1:+              {                 bf[0] =  R*x;                 bf[1] =  R*y;                 bf[2] =  R*z;-                break;+              }+              break;             case 2:+              {                 static const double fac = 1.0; //sqrt(3.0);                 bf[0] = R*x*x;                 bf[1] = R*x*y*fac;@@ -142,8 +145,10 @@                 bf[3] = R*y*y;                 bf[4] = R*y*z*fac;                 bf[5] = R*z*z;-                break;+              }+              break;             case 3:+              {                 bf[0] = R*x*x*x;                 bf[1] = R*x*x*y;                 bf[2] = R*x*x*z;@@ -154,8 +159,9 @@                 bf[7] = R*y*y*z;                 bf[8] = R*y*z*z;                 bf[9] = R*z*z*z;-                break;-+              }+              break;+                             default:                 throw "UNKNOWN ANGULAR MOMENTUM";             }