Open alongd opened 7 months ago
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.
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.