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More import stuff
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basilib committed Feb 28, 2024
1 parent 346602a commit d8346df
Showing 1 changed file with 8 additions and 5 deletions.
13 changes: 8 additions & 5 deletions vayesta/core/scmf/__init__.py
Original file line number Diff line number Diff line change
Expand Up @@ -2,7 +2,6 @@
from vayesta.core.scmf.pdmet import PDMET_UHF
from vayesta.core.scmf.brueckner import Brueckner_RHF
from vayesta.core.scmf.brueckner import Brueckner_UHF
from vayesta.core.scmf.qpewdmet import QPEWDMET_RHF


def PDMET(emb, *args, **kwargs):
Expand All @@ -16,7 +15,11 @@ def Brueckner(emb, *args, **kwargs):
return Brueckner_RHF(emb, *args, **kwargs)
return Brueckner_UHF(emb, *args, **kwargs)

def QPEWDMET(emb, *args, **kwargs):
if emb.is_rhf:
return QPEWDMET_RHF(emb, *args, **kwargs)
raise NotImplementedError("QP-EWDMET for UHF not implemented")
try:
from vayesta.core.scmf.qpewdmet import QPEWDMET_RHF
def QPEWDMET(emb, *args, **kwargs):
if emb.is_rhf:
return QPEWDMET_RHF(emb, *args, **kwargs)
raise NotImplementedError("QP-EWDMET for UHF not implemented")
except ImportError:
pass

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