Possible error in TDDFT Gradient

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  • Niri Forum:Admin, Forum:Mod, NWChemDeveloper, bureaucrat, sysop
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Hi, I have been able to reproduce this with the NWChem 6.5 released version as well as my development build. We didn't see this issue during our development phase, but we also didn't look at very small systems. I will address this issue and post a patch as soon as possible.

Best regards,
-Niri

niri.govind@pnnl.gov


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