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Restore calculator attachement in _calc_forces
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janus_core/calculations/phonons.py

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Original file line numberDiff line numberDiff line change
@@ -1003,7 +1003,7 @@ def _calc_forces(self, struct: PhonopyAtoms) -> ndarray:
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ndarray
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Forces on the structure.
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"""
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return PhonopyAtomsAdaptor.get_atoms(struct).get_forces()
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return PhonopyAtomsAdaptor.get_atoms(struct, self.calc).get_forces()
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def run(self) -> None:
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"""Run phonon calculations."""

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