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[WIP] merge in NMR workflow stuff#21

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dwinston wants to merge 216 commits intomaterialsproject:masterfrom
xhqu1981:mb_nmr_wf
Open

[WIP] merge in NMR workflow stuff#21
dwinston wants to merge 216 commits intomaterialsproject:masterfrom
xhqu1981:mb_nmr_wf

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@dwinston
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@tschaume should ensure that @xhqu1981 merges his NMR stuff upstream. Even though MP production is transitioning to atomate, we should ensure @xhqu1981's fork is consistent with upstream.

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It should be fine. Consistent with the latest pymatgen and custodian.

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