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@esoteric-ephemera esoteric-ephemera commented May 3, 2025

Significant restructuring to accommodate future removal of emmet-core dependence (circular as emmet-core will need this package). Validation is now down from VASP files directly, and allows for faster validation if, e.g., OUTCAR and vasprun.xml are not present

Also adds hashing system to discourage user manipulation of files / easy rechecking of current input set

@esoteric-ephemera esoteric-ephemera merged commit f38e9c9 into main May 29, 2025
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@esoteric-ephemera esoteric-ephemera deleted the refactor branch May 30, 2025 00:27
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