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allow passing all calculator to MD
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chgnet/model/dynamics.py

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Original file line numberDiff line numberDiff line change
@@ -530,7 +530,7 @@ def __init__(
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Stationary(atoms)
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self.atoms = atoms
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if isinstance(model, CHGNetCalculator):
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if isinstance(model, Calculator):
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self.atoms.calc = model
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else:
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self.atoms.calc = CHGNetCalculator(

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