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add orca recipes #3

Merged
merged 5 commits into from
Mar 27, 2024
Merged

add orca recipes #3

merged 5 commits into from
Mar 27, 2024

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mshuaibii
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To standardize the DFT settings used in the dataset, add sp/opt recipe wrappers to be used with quacc.

Andrew-S-Rosen
Andrew-S-Rosen reviewed Mar 25, 2024
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Cool! Just leaving some minor comments here as food for thought.

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samblau
samblau reviewed Mar 26, 2024
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@mshuaibii mshuaibii merged commit 67b19ec into main Mar 27, 2024
@mshuaibii mshuaibii deleted the orca_recipes branch March 27, 2024 16:17
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@mshuaibii @samblau @Andrew-S-Rosen