HvD: David Binderman pointed out that in the termination condition of a for-loop array elements were tested before testing whether the index was still in the  array. So these conditions are now swapped around, first we test whether the index is still within range and then we test the value of the array element.
HvD: David Binderman pointed out that in the termination condition of a for-loop
array elements were tested before testing whether the index was still in the 
array. So these conditions are now swapped around, first we test whether the
index is still within range and then we test the value of the array element.





rangsimanketkaew/NWChem