BNL UV calcuation error "one spin state at a time"

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  • Niri Forum:Admin, Forum:Mod, NWChemDeveloper, bureaucrat, sysop
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Hi, Thanks for reporting this. It looks like we may have stumbled onto a bug. I will look into it and get back to you and will provide a patch if needed. Btw, the tddft frequencies can only be done numerically.

Best,
-Niri

niri.govind@pnnl.gov


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