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src/pymatgen/io/gaussian.py

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@@ -86,7 +86,7 @@ class GaussianInput:
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"""A Gaussian input file."""
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# Commonly used regex patterns
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_zmat_patt = re.compile(r"^(\w+)*([\s,]+(\w+)[\s,]+(\w+))*[\-\.\s,\w]*$")
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_zmat_patt = re.compile(r"^(\w+)([\s,]+(\w+)[\s,]+(\w+)){0,3}[\-\.\s,\w]*$")
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_xyz_patt = re.compile(r"^(\w+)[\s,]+([\d\.eE\-]+)[\s,]+([\d\.eE\-]+)[\s,]+([\d\.eE\-]+)[\-\.\s,\w.]*$")
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def __init__(

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