XYG3-type functionals update#9
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jeanwsr wants to merge 4 commits intoORCAQuantumChemistry:mainfrom
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Hi @dgliakos could you review this? |
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Dear ORCA compound script developers,
This PR includes update for the compound scripts for XYG3-type functionals which I contributed (for orca 5) before, and making them compatible with orca 6.0. I'm not clear what's new in orca 6.0 but following the new wB97M(2) scripts I managed to make the XYG3 scripts work. Looking forward to your suggestions on improving this script!