Describe the task or issue:
AP1roG does not set the seniority parameter in fanpy/wfn/cc/pccd_ap1rog.py to 0, like fanpy/wfn/geminal/ap1rog.py does. Similarly hard coding the seniority may not be the best way forward, as other geminals inherit from pCCD.
The BaseCI wavefunction implements the seniority keyword as follows:
@property
def seniority(self):
"""Return the seniority of the wavefunction.
Seniority of a Slater determinant is its number of unpaired electrons. The seniority of the
wavefunction is the expected number of unpaired electrons.
Returns
-------
seniority : int
Seniority of the wavefunction.
Notes
-----
`None` means that all possible seniority are allowed.
"""
return self._seniority
where each subclass can set or modify _seniority or def seniority.
Describe the task or issue:
AP1roG does not set the seniority parameter in
fanpy/wfn/cc/pccd_ap1rog.pyto 0, likefanpy/wfn/geminal/ap1rog.pydoes. Similarly hard coding the seniority may not be the best way forward, as other geminals inherit from pCCD.The
BaseCIwavefunction implements the seniority keyword as follows:where each subclass can set or modify
_seniorityordef seniority.