BQVCCD(T) is listed in the manual but not recognized by Molpro

[tibo...@gmail.com]

Dear developers,

BQVCCD(T) is listed in the manual as an available method, but Molpro no longer recognizes the keyword. I cannot see the removal of it noted on the Recent changes page either.

The last version that recognized this keyword seems to be between Molpro 2023.2 and 2024.2.  If it was removed due to the implementation being broken and/or disused, noting its removal in the manual would be preferable.

Best regards,

Tibor Győri

[Peter Knowles]

(T) following BQVCCD was never defined by a well-founded theory, and so we removed it from the code. The master version of the manual has now been updated to reflect this, and the deletion will appear when the next version of Molpro is released.

Peter

On 12 Feb 2026, at 16:38, tibo...@gmail.com <tibo...@gmail.com> wrote:

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Prof Peter J Knowles School of Chemistry Cardiff University Main Building, Park Place Cardiff CF10 3AT Tel: +44 (0)2920 879182 Email: Know...@cardiff.ac.uk

Yr Athro Peter J Knowles Yr Ysgol Cemeg Prifysgol Caerdydd Prif Adeilad, Plas y Parc Caerdydd CF10 3AT Ffôn : +44 (0)2920 879182 Ebost: KnowlesPJ@caerdydd.ac.uk​