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Update dynamics.py #109

Merged
merged 1 commit into from
Dec 25, 2023
Merged

Update dynamics.py #109

merged 1 commit into from
Dec 25, 2023

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zhongpc
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@zhongpc zhongpc commented Dec 25, 2023 •
edited by janosh
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AseAtomsAdaptor() is stable to various versions of pymatgen

  • remove to_ase_atoms
  • and bring back atoms = AseAtomsAdaptor().get_atoms(atoms)

@zhongpc
Update dynamics.py
541838d 
AseAtomsAdaptor() is stable to various versions of pymatgen
@bowen-bd
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@janosh If the old implementation does not affect speed, I would prefer the PR for better compatibility

@janosh janosh merged commit e2a2b82 into main Dec 25, 2023
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@janosh janosh deleted the zhongpc-patch-1 branch December 25, 2023 08:32
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janosh commented Dec 25, 2023

Yeah that change was premature. Apologies

@janosh janosh added api Application programming interface outdated Issues caused by outdated versions/dependencies labels Jan 6, 2024
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@zhongpc @bowen-bd @janosh