It contains files of PyQuante package modified by me with a couple of extensions:
- molecular multipole 1-electron integrals
- overlap and kinetic 1-electron integral derivatives wrt nuclear coordinates
- more basis sets added, including 6-311++G** Cartesian (6D) basis set for H, N, C, O, F, S and Na elements
- modification of orbital shell structure for d and f shells
- extension of PyQuante.Molecule and PyQuante.BasisSet classes
- hybrid double-molecular 2-electron J and K integrals
Adding/substituting the source code and running standard PyQuante installing routines is sufficient to install this modified version of PyQuante.