Fixes Player Class Implementation
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7
diceplayer/DPpack/External/Gaussian.py
vendored
7
diceplayer/DPpack/External/Gaussian.py
vendored
@@ -17,21 +17,18 @@ from diceplayer.DPpack.Utils.Validations import NotNull
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class Gaussian:
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qmprog = "g09"
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mem = None
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keywords = None
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chgmult = [0, 1]
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gmiddle = None # In each case, if a filename is given, its content will be
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gbottom = None # inserted in the gaussian input
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pop = "chelpg"
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level = None
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def __init__(self) -> None:
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pass
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@NotNull(requiredArgs=["level"])
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@NotNull(requiredArgs=["qmprog","level"])
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def updateKeywords(self, **data):
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self.__dict__.update(data)
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self.__dict__.update(**data)
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def run_formchk(self, cycle: int, fh: TextIO):
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