Implement alternate and recommended way to set properties of abstract base class
See: https://github.com/lammps/lammps/security/code-scanning/476
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@ -4,12 +4,13 @@ import pickle
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class MLIAPUnified(ABC):
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"""Abstract base class for MLIAPUnified."""
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def __init__(self):
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self.interface = None
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self.element_types = None
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self.ndescriptors = None
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self.nparams = None
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self.rcutfac = None
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def __init__(self, interface = None, element_types = None,
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ndescriptors = None, nparams = None, rcutfac = None):
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self.interface = interface
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self.element_types = element_types
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self.ndescriptors = ndescriptors
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self.nparams = nparams
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self.rcutfac = rcutfac
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@abstractmethod
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def compute_gradients(self, data):
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