Andrew S. Rosen

[WIP] Add a VASP handler for too high NBANDS

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## Summary Closes #224. If NBANDS is set to an unphysically high value, the resulting electronic structure properties can be completely erroneous. This is becoming more of a problem lately...

Introduce a rule for too high NBANDS

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When modeling very small systems (e.g. a single CO molecule in a box) with VASP, if `NBANDS` is too large, the electronic structure (e.g. the DOS) can be completely unphysical....

VASP handler needed for `ERROR: there must be 1 or 3 items on line 2 of POSCAR`

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### Email (Optional) _No response_ ### Version 2023.7.22 ### Which OS(es) are you using? - [ ] MacOS - [ ] Windows - [x] Linux ### What happened? There is...

Logo needed!

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Like in https://github.com/materialsproject/atomate2/issues/372, Jobflow needs a logo at some point! Currently facing this when preparing a presentation :)

Add `__getitem__` and `__getattr__` 🧙magic🧙‍♀️ methods for `Job`

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## Summary Following in @janosh's footsteps, I propose a `__getitem__` magic method for `Job`, such that if you index a `Job` object by a key (as if it were a...

We should think about a slightly more secure mechanism for storing database secrets both in Jobflow configuration files. This is specifically referring to maggma-based credentials. My proposed recommendation is to...

`importorskip` statements should be used in the test suite

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If fireworks or matplotlib (potentially others like maggma, moto, ...) are not installed, the test suite fails. It would be better to use a [`importorskip` marker](https://docs.pytest.org/en/7.1.x/reference/reference.html#pytest-importorskip) (preferable) or to update...

Which discussion forum are we using?

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In the README, [there is a link](https://materialsproject.github.io/jobflow/contributing.html) to the FireWorks matsci.org page for the discussion forum, but we also have the Discussions tab opened here. Is the README link meant...

This could definitely be improved! See the current state of the tutorial I made here: https://github.com/materialsproject/jobflow/blob/main/docs/tutorials/5-dynamic-flows.ipynb

### Python version 3.11 ### Pymatgen version 2024.5.1 ### Operating system version _No response_ ### Current behavior When calling `VaspInputSet.get_input_set()`, the returned `VaspInput` has a broken `.as_dict()` method. That is...