psi_base

class psi_base.PSIB(species, ndim=None, options={})

Defines the Fock operator for a Hartree-Fock Calculation.

property nbasis

Length of the basis

property pce

The potential charge energy

plot_obj(obj, label, marker='-')

Computes the density in the grid for each orbital from density matrix. Includes virtual orbitals.

property sid

Id of the object owner’s

property symbol

Symbol of the object owner’s