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CUHF as a reference #3120

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susilehtola opened this issue Jan 9, 2024 · 1 comment
Open

CUHF as a reference #3120

susilehtola opened this issue Jan 9, 2024 · 1 comment

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@susilehtola
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It looks like many parts of the code don't work with reference CUHF. I am wondering whether this should be the case. Shouldn't CUHF work in whatever code already has the ROHF reference implemented?

@JonathonMisiewicz
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If there are no ROHF-specific formulas, sure. But if a module has specific methods and formulae for ROHF, I think those need to be checked for CUHF compatibility on a case-by-case basis.

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