Fixing compatibility with the new ASE #25
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long_format=True
option is no longer available for the ASE vasp writer (as of the merge 3155 from November 2023). Differences in the produced files seem to be within the round-off error.In addition, this merge replaces 'quit()' with 'return' in the
dftconvergence
andmd
providers, which seems better suited for production code and Jupyter notebooks.