Alex Ganose comments

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                                            Alex Ganose

where to find inputs of a job

Currently, the inputs aren't stored if using `run_locally`. There is a WIP PR that aimed to store the input references only (not the associated args/kwargs that these inputs correspond to)....

where to find inputs of a job

Yes, I believe that is possible using jobflow remote. Although perhaps @gpetretto could comment?

Implementation to adjust get_supercell_size to also generate orthorhombic supercells

@janosh @orionarcher are you able to advise. Presumably this should not need to be installed to use the rest of the code?

Increase CI sensitivity by testing both lowest-direct and highest dependency resolution strategy

Hi @janosh, thanks for this. I'm a bit confused about what's happening here. If you use resolution strategy="highest" and the strict optional dependencies at the same time, won't this just...

Increase CI sensitivity by testing both lowest-direct and highest dependency resolution strategy

Hi @janosh, I've updated the required CI, so this can be merged now. Thanks very much for the addition.

Issue with VASP_VDW_KERNEL_DIR Setup Not Locating vdw_kernel.bindat File

Hi @YuanbinLiu, can I just check if you're using a relative or absolute path, and whether you're using `~/` or putting the full path.

Issue with VASP_VDW_KERNEL_DIR Setup Not Locating vdw_kernel.bindat File

I agree @JaGeo. It looks like this option doesn't currently do anything. I think it would make sense to actually have this option in pymatgen and then automatically copy the...

Issue with VASP_VDW_KERNEL_DIR Setup Not Locating vdw_kernel.bindat File

@YuanbinLiu I agree - I'll look into this. It may take some time though, so it will be easiest and quickest if you use the updated version.

Feature request: option for running complex workflow without fireworks

@JaGeo have you spoken to @davidwaroquiers or @gpetretto about Jobflow-remote?

[WIP] Generalize forcefields for generic ASE calculator support

Hi @esoteric-ephemera, this is really nice to see in atomate2. Your implementation looks great to me. Would you be also happy to add static makers? In terms of your todos:...