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.
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.





rangsimanketkaew/NWChem