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AseAtomsAdaptor() is stable to various versions of pymatgen
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@janosh If the old implementation does not affect speed, I would prefer the PR for better compatibility |
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Yeah that change was premature. Apologies |
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AseAtomsAdaptor()is stable to various versions ofpymatgento_ase_atomsatoms = AseAtomsAdaptor().get_atoms(atoms)