Running a DFT Calculation on Hydrogen using New DFTSolver

With the new v1.6 solvers these calculations could be run via:

>>> from PyQuante import SCF, Molecule>>> h2 = Molecule('h2',[(1,(0,0,0)),(1,(1.4,0,0))])>>> lda = SCF(h2,method="DFT")>>> lda.iterate()>>> blyp = SCF(h2,method="DFT",functional="BLYP")>>> blyp.iterate()>>> print "DFT Results: LDA = %f BLYP = %f" % (lda.energy,blyp.energy)