8000 Use npz format to store post-processing results by awvwgk · Pull Request #256 · tblite/tblite · GitHub
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Use npz format to store post-processing results #256

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Use npz format to store post-processing results #256

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@awvwgk awvwgk commented Apr 24, 2025
  • cleanup double dictionary implementation
  • use npz format for serializing numerical data

@awvwgk awvwgk added this to the v0.5.0 milestone May 1, 2025
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Why would we remove the toml output and input functionality?
How about having both npz and toml, and use the corresponding parser or lexer depending on file name ending?

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awvwgk commented May 2, 2025

TOML is more a configuration format than a serialization format. For input files I strongly prefer TOML as format, for outputs however I think either JSON or other formats optimized for numeric data are preferable, like HDF5 or NPZ. For the post processing outputs, TOML seemed like a stop-gap solution, now we have a better alternative and I prefer to use it going forward.

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