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Document the option to run LOBSTER with one jobscript only #811

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merged 5 commits into from
May 11, 2024

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@JaGeo JaGeo commented Apr 19, 2024

@utf, I have recently made some modifications to custodian so that we can run VASP and LOBSTER now with a minimal setup on 1 node. Users can use this new option once the new custodian version is required and #723 is merged.

I would love to advertise this also in the new atomate2 paper, as this now enables us to use the full capabilities of jobflow with the LOBSTER workflow as well. Of course, specialists might want to run VASP on more than one node. However, in most use cases, this version should be sufficient. And, we might attract a few new atomate2 users in this way.

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JaGeo commented May 11, 2024

This is only additional documentation. This is why I will merge.

@JaGeo JaGeo enabled auto-merge (squash) May 11, 2024 19:50
@JaGeo JaGeo disabled auto-merge May 11, 2024 19:51
@JaGeo JaGeo enabled auto-merge (squash) May 11, 2024 20:00
@JaGeo JaGeo merged commit 29a5731 into materialsproject:main May 11, 2024
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esoteric-ephemera pushed a commit to esoteric-ephemera/atomate2 that referenced this pull request May 13, 2024
hrushikesh-s pushed a commit to hrushikesh-s/atomate2 that referenced this pull request Jun 28, 2024
@utf utf added the docs Improvements or additions to documentation label Aug 20, 2024
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