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deprec RelaxationRelaxationStaticBase in favor of Relaxation__Vasp__Staged #558

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jacksund opened this issue Dec 28, 2023 · 3 comments
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refactor cleans up code without affecting functionality

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@jacksund
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nested_dft needs refactored to merge/use functionality of relaxation.vasp.staged

RelaxationRelaxationStaticBase is really a copy of Relaxation__Vasp__Staged with not as many features/functionality

@jacksund jacksund added the refactor cleans up code without affecting functionality label Dec 28, 2023
@jacksund
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extras:

use_database is already True
https://github.com/jacksund/simmate/blob/main/src/simmate/apps/warren_lab/workflows/badelf/badelf.py

we can add this table to the database method for auto-checks

@SWeav02
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SWeav02 commented Jan 5, 2024

Yep I didn't notice the Relaxation__Vasp__Staged workflow.

I'm currently creating a to-do list for improving the BadELF app for my own reference and I'm adding each of the issues that we currently have open. I may not get to some of them (like this one) for a while, but they will get done eventually.

@jacksund
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jacksund commented Jan 5, 2024

I may not get to some of them (like this one) for a while, but they will get done eventually.

Welcome to being a dev and having a never ending to-do list 🤣

And no worries. I'll try to tackle issues like this one that need a refactor of code outside of warren_lab and badelf. We'll get to it when we get to it

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