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Published 20 hours ago • verified publisher icon qcscine

analytical SA-DMRG-SCF gradients

Open lijingbai2009 opened this issue 2 years ago • 0 comments

Hi developers,

I read this paper J. Chem. Theory Comput. 2019, 15, 6724−6737 published two years ago. I am wondering if the analytical SA-DMRG-SCF gradient is available right now? Could you please let me know how to enable this function?

lijingbai2009 avatar Jun 04 '22 23:06 lijingbai2009