NJD 02/05/04
Things I need to do:
Find out what QTEST variable does (line 100 - 2)
Find out what ITST variables do
Added standalone variable to produce logic if intder is not used within PSI

--Test cases need to be updated to psi3 format. I'm currently working on this - NJD

immediately to do: 
-modify input nocomshift so that non-reoriented center of mass is saved to checkpoint

-print/check center of mass shift, allow skip of COM shift

-read geometry from input file geometry:() (not totally working yet)

-Need some sort of logic, when would intder read from chkpt, when would it take the geometry from
input, when would it take it from optking or intdif in the event of displacements?

-Input/output derivatives as in YIN/YOUT/INPKFM

-Haven't incorporated "ICHECK" variables into X/Y/Z IN/OUT

-Also need to have some way to print the 3D/4D/5D matrices!

-Need to be able to get atom labels of internal coordinates without processing the internal coordinate.
   I thought we figured out how to do this?!

-the old print_lvl convention... do we want to change this to one digit like the rest of PSI3? 
 Shall we have explicit print keywords like print_xmat?

-SQFMC subheirarchy of keywords needs to be created

-rcom/lin1 and other non-simple coordinates need to be implemented in optking

-Original program read a variable NUMTEST = 'ST' to suppress numerical testing of
  individual coordinates. This should be a seperate array to since we'll be reading from into
  or PSI? ok, then these need to be passed to printinternalcoords to print coords that ARE being
  tested, so maybe need to overload printInternalCoordinates() ?
  I wrote some crap about this in transform.cc with SecondDerivative::NumTest()

