diff --git a/vayesta/core/scmf/qpewdmet.py b/vayesta/core/scmf/qpewdmet.py index 5272ef65..66b1e7ad 100644 --- a/vayesta/core/scmf/qpewdmet.py +++ b/vayesta/core/scmf/qpewdmet.py @@ -5,7 +5,6 @@ import vayesta from vayesta.core.scmf.scmf import SCMF -from vayesta.core.qemb.self_energy import make_self_energy_1proj, make_self_energy_2proj from vayesta.core.foldscf import FoldedSCF from vayesta.lattmod import LatticeRHF @@ -115,6 +114,11 @@ def update_mo_coeff(self, mo_coeff, mo_occ, diis=None): self.static_potential = np.zeros_like(self.fock) self.static_self_energy = np.zeros_like(self.fock) + try: + from vayesta.core.qemb.self_energy import make_self_energy_1proj, make_self_energy_2proj + except ImportError: + raise ImportError("Dyson required for QPEWDMET") + if self.proj == 1: self.self_energy, self.static_self_energy, self.static_potential = make_self_energy_1proj(self.emb, use_sym=self.use_sym, eta=self.eta, se_degen_tol=self.se_degen_tol, se_eval_tol=self.se_eval_tol) elif self.proj == 2: