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Update qcschema.py
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sunqm authored Dec 3, 2024
1 parent 4729d99 commit c32136c
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion pyscf/tools/qcschema.py
Original file line number Diff line number Diff line change
Expand Up @@ -129,7 +129,7 @@ def load_qcschema_scf_info(qcschema_dict):
Returns:
scf_dict: contains the relevent scf info only
'''

# Restricted wfn has schema scf_occupations_a occ of 1 or 0.
# Need to double if rhf/rks/rohf
method = qcschema_dict["keywords"]["scf"]["method"]
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