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

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tibo...@gmail.com

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Feb 12, 2026, 12:15:11 PMFeb 12
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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

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Mar 3, 2026, 10:20:46 AM (2 days ago) Mar 3
to tibo...@gmail.com, molpro-user
(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

 

Yr Athro Peter J Knowles
Yr Ysgol Cemeg
Prifysgol Caerdydd
Prif Adeilad, Plas y Parc
Caerdydd
CF10 3AT
Ffôn : +44 (0)2920 879182

 







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