Class Orbital

A class for storing orbital information.

Attributes

energy (float, Hartrees)

symmetry (str)

Instance Methods

__init__(self, energy, symmetry=None)

__cmp__(this, that)
Compare on orbital energy and the non-reduced symmetry.

__str__(self)

__repr__(self)

__sub__(self, other)

Class Variables

precision = 1.0e-4

_special_equiv = {"Pi_u_1": "Pi_u_2", "Pi_u_2": "Pi_u_1", "Pi_...

Class Variable Details

Value:

{"Pi_u_1": "Pi_u_2", "Pi_u_2": "Pi_u_1", "Pi_g_1": "Pi_g_2", "Pi_g_2":
 "Pi_g_1",}