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Consider implementing MRCC

Open alongd opened this issue 1 year ago • 0 comments

We can consider adding an adapter for MRCC (https://www.mrcc.hu/index.php), which is a free ESS for non-commercial usage. It was used by this study and seems to give accurate energies, I don't know how it performs wrt DFT.

alongd avatar Feb 12 '24 13:02 alongd