suggestion: a new diagnostic in CCSD

[mradon]

Dear Turbomole Developers,
May I suggest to print in ricc2 (at the end of CCSD) the largest double-substitution amplitude as yet another diagnostic of multireference character ?  To make it clear, I mean the following quantity:
max|t₂| := max_ij,ab|t_ij^ab|.
Surely, I am aware that max |t₂| is not orbital-rotation invariant and that the D2 diagnostic is possibly better founded from a theoretical standpoint. Nonetheless, for making comparisons with the literature, it would be very convenient to have max |t₂| as well. I guess, this diagnostic would be also pretty straightforward to implement.

[christof.haettig]

There are no plans to print such quantities for canonical orbitals. Quantities which are not orbital-invariant are only meaningful in a localized basis set.
Christof