rename new sd_ kernels as transpsd_, brought back old kernels as sd_ and added OMP bit to them

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 openmp for gfortan/x86_64

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HvD: Added the first bit of actual Fortran code generation. Depending on the
specification of the functional there is a whole raft of other options still
to go.


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openmp pgf90 bits

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HvD: Base version of the Maxima code generation script. 
Next up:
- Work out sensible subroutine names
- Add reference data
- Test this stuff.


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HvD: The script now works out a sensible name for the functional,
generates the Fortran, adds Doxygen documentation including the literature
reference and a hyperlink with the DOI.


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HvD: A fix for people who do not have SVN or no internet access. No
the script exits without messing any pre-existing Global Array code up.


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removed debug write statements...EJB

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...EJB

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...EJB

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...EJB

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HvD: Adding TeX documentation to the generated density functional code.
I am not sure how well this is going to work but I'll give it a shot. If
it doesn't work I will simply take it out again.


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HvD: For the closed shell cases some more derivatives are needed.


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HvD: The usual mayhem when you first try to use symbolic math tools in earnest.
- TeX is included in the documentation part of the subroutine so that 
  doxygen can do something. This of course needs to be generated on a single 
  comment line as the Fortran compilers still are not TeX savvy.
- Also the literature references tend to be a bit long and we need to avoid
  them being wrapped around onto multiple lines.
- Fortran compilers like numbers rather than obscure strings to specify
  constants like Pi. Despite this it is common in symbolic math tools that one
  has to force the translation of named constants into numbers.
- So far I have tried generating the LYP functional. A Fortran file was
  produced. It will be interesting to see whether that code actually works.


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HvD: Adding two directories and a first functional to try the Maxima approach
with. The directories are:
- max: The location where the Maxima specifications of the functionals are
       supposed to go. Even when a subroutine has been generated it is 
       essential that the Maxima specification gets committed as well. The
       reason is that this specification is most likely the only human 
       readable result. Without it there is NO WAY OF CHECKING that the 
       correct functional was implemented.
- f77: A holding area for the Fortran code produced by Maxima. Maybe this
       will prove to be unnecessary but maybe it is good to have this.
In addition the LYP functional is specified in nwxc_c_lyp.max. This also 
serves as an initial example of how to specify functionals in Maxima.


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...EJB

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...EJB

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HvD: If rho_a is zero one cannot assume that tau_a is zero also.
This required some more expressions for G.


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HvD: An extra argument was needed for tau_u in the G expressions.
I have also added the proper number of columns declarations to the arguments.


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HvD: Adding *.F90 files to the list of files that Doxygen will recognize as
being Fortran source code. 


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