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shivupa committed Apr 30, 2024
1 parent a783311 commit bb5acf4
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Showing 10 changed files with 10 additions and 10 deletions.
2 changes: 1 addition & 1 deletion cclib/attribute_parsers/atombasis.py
Original file line number Diff line number Diff line change
Expand Up @@ -140,7 +140,7 @@ def psi4(file_handler, ccdata) -> Optional[dict]:
return None

@staticmethod
def qchem(file_handler, ccdata) -> dict | None:
def qchem(file_handler, ccdata) -> Optional[dict]:
# This block comes from `print_orbitals = true/{int}`. Less
# precision than `scf_final_print >= 2` for `mocoeffs`, but
# important for `aonames` and `atombasis`.
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2 changes: 1 addition & 1 deletion cclib/attribute_parsers/atomcoords.py
Original file line number Diff line number Diff line change
Expand Up @@ -60,7 +60,7 @@ def psi4(file_handler, ccdata) -> Optional[dict]:
return None

@staticmethod
def qchem(file_handler, ccdata) -> dict | None:
def qchem(file_handler, ccdata) -> Optional[dict]:
# Extract the atomic numbers and coordinates of the atoms.
# TODO: afterparsing for geometries
line = file_handler.last_line
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2 changes: 1 addition & 1 deletion cclib/attribute_parsers/atomnos.py
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Expand Up @@ -53,7 +53,7 @@ def psi4(file_handler, ccdata) -> Optional[dict]:
return None

@staticmethod
def qchem(file_handler, ccdata) -> dict | None:
def qchem(file_handler, ccdata) -> Optional[dict]:
table = utils.PeriodicTable()
constructed_data = None
# Extract the atomic numbers
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2 changes: 1 addition & 1 deletion cclib/attribute_parsers/charge.py
Original file line number Diff line number Diff line change
Expand Up @@ -38,7 +38,7 @@ def psi4(file_handler, ccdata) -> Optional[dict]:
return None

@staticmethod
def qchem(file_handler, ccdata) -> dict | None:
def qchem(file_handler, ccdata) -> Optional[dict]:
# TODO: ecp charge may be different!
dependency_list = ["atomnos"]
line = file_handler.last_line
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2 changes: 1 addition & 1 deletion cclib/attribute_parsers/gbasis.py
Original file line number Diff line number Diff line change
Expand Up @@ -216,7 +216,7 @@ def get_normalization_factor(exp, lx, ly, lz):
return None

@staticmethod
def qchem(file_handler, ccdata) -> dict | None:
def qchem(file_handler, ccdata) -> Optional[dict]:
constructed_data = None
line = file_handler.last_line
parsed_gbasis = []
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2 changes: 1 addition & 1 deletion cclib/attribute_parsers/mosyms.py
Original file line number Diff line number Diff line change
Expand Up @@ -118,7 +118,7 @@ def gaussian(file_handler, ccdata) -> Optional[dict]:
return None

@staticmethod
def qchem(file_handler, ccdata) -> dict | None:
def qchem(file_handler, ccdata) -> Optional[dict]:
line = file_handler.last_line
parsed_data = None
# Molecular orbital energies and symmetries.
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2 changes: 1 addition & 1 deletion cclib/attribute_parsers/mult.py
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Expand Up @@ -36,7 +36,7 @@ def psi4(file_handler, ccdata) -> Optional[dict]:
return None

@staticmethod
def qchem(file_handler, ccdata) -> dict | None:
def qchem(file_handler, ccdata) -> Optional[dict]:
# TODO: ecp charge may be different!
line = file_handler.last_line
constructed_data = None
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2 changes: 1 addition & 1 deletion cclib/attribute_parsers/natom.py
Original file line number Diff line number Diff line change
Expand Up @@ -39,7 +39,7 @@ def psi4(file_handler, ccdata) -> Optional[dict]:
return None

@staticmethod
def qchem(file_handler, ccdata) -> dict | None:
def qchem(file_handler, ccdata) -> Optional[dict]:
# ccdata is "const" here and we don't need to modify it yet. The driver will set the attr
dependency_list = ["atomnos"]
if base_parser.check_dependencies(dependency_list, ccdata, "natom"):
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2 changes: 1 addition & 1 deletion cclib/attribute_parsers/nmo.py
Original file line number Diff line number Diff line change
Expand Up @@ -36,7 +36,7 @@ def gaussian(file_handler, ccdata) -> Optional[dict]:
return None

@staticmethod
def qchem(file_handler, ccdata) -> dict | None:
def qchem(file_handler, ccdata) -> Optional[dict]:
dependency_list = ["moenergies"]
if base_parser.check_dependencies(dependency_list, ccdata, "nmo"):
return {nmo.__name__: len(ccdata.monergies[0])}
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2 changes: 1 addition & 1 deletion cclib/attribute_parsers/scfenergies.py
Original file line number Diff line number Diff line change
Expand Up @@ -34,7 +34,7 @@ def psi4(file_handler, ccdata) -> Optional[dict]:
return None

@staticmethod
def qchem(file_handler, ccdata) -> dict | None:
def qchem(file_handler, ccdata) -> Optional[dict]:
line = file_handler.last_line
constructed_scfenergies = None
constructed_data = None
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