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Internal usability #5

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1 of 2 tasks
sirmarcel opened this issue Oct 10, 2024 · 0 comments
Open
1 of 2 tasks

Internal usability #5

sirmarcel opened this issue Oct 10, 2024 · 0 comments

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@sirmarcel
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sirmarcel commented Oct 10, 2024 •
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I'm collecting internal COSMO feedback for what would be nice to make this more usable

  • Have some sort of statement about rascaline (or featomic) hypers versus ours
  • Provide a small snippet that converts ase.Atoms into the inputs for SphericalExpansion

Thanks for feedback
@jwa7
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@sirmarcel