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@pcagas pcagas commented Dec 16, 2024

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 and md providers, which seems better suited for production code and Jupyter notebooks.

…ter. The removal doesn't seem to be changing anything in the produced file. In addition replacing 'quit()' for 'return' in hte dftconvergence and md provider, which seems to be better suited for production code and Jupyter notebooks.
@RandomDefaultUser RandomDefaultUser merged commit 305b591 into mala-project:main Mar 13, 2025
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