Python EOMEA примеры использования

Пример #1

 def eaccsd(self,
            nroots=1,
            left=False,
            koopmans=False,
            guess=None,
            partition=None,
            eris=None):
     from pyscf.cc import eom_uccsd
     return eom_uccsd.EOMEA(self).kernel(nroots, left, koopmans, guess,
                                         partition, eris)

Пример #2

 def eomea_method(self):
     from pyscf.cc import eom_uccsd
     return eom_uccsd.EOMEA(self)