New Basis Sets Added
02/24/07 06:55
We've added some new basis sets (6-311G and friends,
mostly). As of PyQuante 1.6, you can also import
basis sets via
>>> solver = HFSolver(mol,basis="6-311G++(2d,2p)")
>>> solver = HFSolver(mol,basis="6-311G++(2d,2p)")