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fix dfmp2
1 parent b1c3fd4 commit 37c1dd5

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-2
lines changed

2 files changed

+2
-2
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pyscf/mp/dfmp2.py

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -231,7 +231,7 @@ def _make_df_eris(mp, mo_coeff=None, ovL=None, ovL_to_save=None, verbose=None):
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# determine incore or outcore
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nocc = occ_coeff.shape[1]
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nvir = vir_coeff.shape[1]
234-
naux = with_df.auxmol.nao_nr()
234+
naux = with_df.get_naoaux()
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if ovL is not None:
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if isinstance(ovL, np.ndarray):

pyscf/mp/dfump2.py

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -245,7 +245,7 @@ def _make_df_eris(mp, mo_coeff=None, ovL=None, ovL_to_save=None, verbose=None):
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# determine incore or outcore
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nocc = np.asarray([x.shape[1] for x in occ_coeff])
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nvir = np.asarray([x.shape[1] for x in vir_coeff])
248-
naux = with_df.auxmol.nao_nr()
248+
naux = with_df.get_naoaux()
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if ovL is not None:
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if isinstance(ovL, (np.ndarray,list,tuple)):

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