pycc.hfwfn

hfwfn.py: Hartree-Fock wavefunction and MO-basis analytic derivative properties.

Classes

HFwfn(scf_wfn, **kwargs)

An RHF wavefunction on the shared Wavefunction base, and the home for MO-basis HF analytic derivative properties (gradient now; Hessian, APTs, AATs, and a CPHF solver to follow).