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Published 20 hours ago • verified publisher icon fishjojo

uccsd?

Open mkrompiec opened this issue 1 year ago • 5 comments

How hard would it be to port https://github.com/pyscf/pyscf/blob/master/pyscf/cc/uccsd.py to pyscfad? Is it likely that large portions would have to be redesigned, or do you think it would be a simple refactor?

mkrompiec avatar Nov 10 '24 22:11 mkrompiec