analytical SA-DMRG-SCF gradients

qcscine / qcmaquis

Release-only repository for SCINE QCMaquis, the DMRG software from the Reiher group.

BSD 3-Clause "New" or "Revised" License

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analytical SA-DMRG-SCF gradients #8

Open lijingbai2009 opened 2 years ago

lijingbai2009 commented 2 years ago

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?