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Update codebase to work with ASE v3.22 #30

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logsdail opened this issue Jul 12, 2021 · 1 comment
Open

Update codebase to work with ASE v3.22 #30

logsdail opened this issue Jul 12, 2021 · 1 comment

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@logsdail
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Issues include:

  • socket calculator
  • interpolation for NEB.
@ikowalec
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Vibrations (work in progress) @owainbeynon - any tools should be written with the new ase.vibrations.Vibrations in mind

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@logsdail @ikowalec