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Add a way to convert from other package hypers to rascaline #264

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Luthaf opened this issue Dec 14, 2023 · 0 comments
Open

Add a way to convert from other package hypers to rascaline #264

Luthaf opened this issue Dec 14, 2023 · 0 comments
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calculators Work on the representation/fingerprint functions. documentation Improvements or additions to documentation

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@Luthaf
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Luthaf commented Dec 14, 2023

It would be nice for new users to have some functionality (a function, a part of the documentation, …) to convert from other packages' hypers to rascaline. I think we should provide conversion from the following:

  • librascal
  • QUIP
  • DScribe

The code should also check for anything currently unsupported by rascaline and make sure the user is aware!
@Luthaf Luthaf added documentation Improvements or additions to documentation calculators Work on the representation/fingerprint functions. labels Dec 14, 2023
@Luthaf Luthaf mentioned this issue Dec 14, 2023
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calculators Work on the representation/fingerprint functions. documentation Improvements or additions to documentation
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