Vasp: Refactor bader analysis

pyiron / pyiron_atomistics

pyiron_atomistics - an integrated development environment (IDE) for atomistic simulation in computational materials science.

https://pyiron-atomistics.readthedocs.io

BSD 3-Clause "New" or "Revised" License

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Vasp: Refactor bader analysis #1453

Closed jan-janssen closed 4 months ago

jan-janssen commented 4 months ago

Rather than requiring the job object as input the Bader class now only requires the structure and the working_directory. This simplifies the refactoring of the output in https://github.com/pyiron/pyiron_atomistics/pull/1452