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I find it a bit counterintuitive that erroneous XYZ files only print something (to stderr I believe) but otherwise simply return an empty list. Instead I would have expected an exception with the error to be raised.
The text was updated successfully, but these errors were encountered:
As you may have seen I'm very belatedly catching up on these issues. I agree with this one as well, but it will require changes in the underlying C library. I've opened an issue at libAtoms/extxyz#14
I find it a bit counterintuitive that erroneous XYZ files only print something (to stderr I believe) but otherwise simply return an empty list. Instead I would have expected an exception with the error to be raised.
The text was updated successfully, but these errors were encountered: