WIP: Vasp ml#715

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davidwaroquiers wants to merge 14 commits intomaterialsproject:mainfrom

davidwaroquiers:vasp_ml

Commits on Nov 14, 2022

Auto-update pre-commit hooks
davidwaroquiers
authored

Commits on May 5, 2023

Merge pull request #54 from davidwaroquiers/update/pre-commit-autoupdate
davidwaroquiers
authored

Commits on Nov 30, 2023

Merge branch 'main' of https://github.com/materialsproject/atomate2
davidwaroquiers
committed

Commits on Dec 1, 2023

Added MLMDSetGenerator for MLFF-based MD with Vasp.
davidwaroquiers
committed

Commits on Jan 11, 2024

Commits on Feb 12, 2024

Commits on Feb 16, 2024

Fixed issue with band structure trying to be parsed for vasp ML MD
davidwaroquiers
committed

Commits on Feb 19, 2024

Merge branch 'main' into vasp_ml
davidwaroquiers
authored

Commits on Oct 22, 2024