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Change way readers are chosen based on a file suffix #86

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PicoCentauri opened this issue Feb 19, 2024 · 1 comment
Closed

Change way readers are chosen based on a file suffix #86

PicoCentauri opened this issue Feb 19, 2024 · 1 comment

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@PicoCentauri
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          Not a comment for this PR, but long term it might make sense to invert the control flow here. Instead of guessing the reader from the file extension, do something like 
structures:
    read_from: file.xyz
    reader: ase

or

structures:
    read_from: ase://file.xyz

this way we don't try to use ASE on CP2K xyz files, which are not quite compatible

Originally posted by @Luthaf in #84 (comment)

@PicoCentauri
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Close in favor of #153

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