message: Fix - use Molden order for f-orbitals
  Needs some code for re-ordering CCA-based input & g, h orbitals
diff: @@ -337,17 +337,31 @@ inline void GaussianSetTools::pointF(unsigned int moIndex, const Vector3& delta,
  for (int j = 0; j < 10; ++j)
  components[j] += gtoCN[cIndex++] * tmpGTO;
  }
  +
  + double xxx = delta.x() * delta.x() * delta.x(); // xxx
  + double xxy = delta.x() * delta.x() * delta.y(); // xxy
  + double xxz = delta.x() * delta.x() * delta.z(); // xxz
  + double xyy = delta.x() * delta.y() * delta.y(); // xyy
  + double xyz = delta.x() * delta.y() * delta.z(); // xyz
  + double xzz = delta.x() * delta.z() * delta.z(); // xzz
  + double yyy = delta.y() * delta.y() * delta.y(); // yyy
  + double yyz = delta.y() * delta.y() * delta.z(); // yyz
  + double yzz = delta.y() * delta.z() * delta.z(); // yzz
  + double zzz = delta.z() * delta.z() * delta.z(); // zzz
  +
  double componentsF[10] = {
  - delta.x() * delta.x() * delta.x(), // xxx
  - delta.x() * delta.x() * delta.y(), // xxy
  - delta.x() * delta.x() * delta.z(), // xxz
  - delta.x() * delta.y() * delta.y(), // xyy
  - delta.x() * delta.y() * delta.z(), // xyz
  - delta.x() * delta.z() * delta.z(), // xzz
  - delta.y() * delta.y() * delta.y(), // yyy
  - delta.y() * delta.y() * delta.z(), // yyz
  - delta.y() * delta.z() * delta.z(), // yzz
  - delta.z() * delta.z() * delta.z() // zzz
  + // molden order
  + // e.g https://gau2grid.readthedocs.io/en/latest/order.html
  + xxx,
  + yyy,
  + zzz,
  + xyy,
  + xxy,
  + xxz,
  + xzz,
  + yzz,
  + yyz,
  + xyz
  };
  for (int i = 0; i < 10; ++i)
  