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samblau committed Jun 18, 2021
1 parent 0d279ce commit 4660b20
Showing 1 changed file with 2 additions and 2 deletions.
4 changes: 2 additions & 2 deletions pymatgen/io/qchem/outputs.py
Expand Up @@ -1659,7 +1659,7 @@ def parse_hybridization_character(lines: List[str]) -> List[pd.DataFrame]:
f"atom {i} {orbital}": 0.0
for orbital in orbitals
for i in range(1, 3)
} # type: ignore
} # type: Dict[str, Any]
entry["bond index"] = line[0:4].strip()
entry["occupancy"] = line[7:14].strip()
entry["type"] = line[16:19].strip()
Expand Down Expand Up @@ -1780,7 +1780,7 @@ def parse_perturbation_energy(lines: List[str]) -> List[pd.DataFrame]:
continue

# Extract the values
entry = {} # type: ignore
entry = {} # type: Dict[str, Any]
entry["donor bond index"] = int(line[0:4].strip())
entry["donor type"] = str(line[5:9].strip())
entry["donor orbital index"] = int(line[10:12].strip())
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