def cas_natorb_(self, mo_coeff=None, ci0=None): self.ci, self.mo_coeff, occ = addons.cas_natorb(self, mo_coeff, ci0) return self.ci, self.mo_coeff
def cas_natorb(self, mo_coeff=None, ci0=None): return addons.cas_natorb(self, mo_coeff, ci0)
def cas_natorb(self, mo_coeff=None, ci0=None): if mo_coeff is None: mo_coeff = self.mo_coeff if ci0 is None: ci0 = self.ci return addons.cas_natorb(self, mo_coeff, ci0)