[molpro-user] Getting rid of limit of 32 active orbitals in molpro2012.1

Evgeniy Gromov evgeniy.gromov at pci.uni-heidelberg.de
Tue May 23 19:34:47 CEST 2017


Dear Developers and Users of Molpro,

If I am not mistaken, the limit of 32 active orbitals is supposed to 
have been (quasi) removed in molpro 2012.1.
I vaguely remember that some trick is however needed before or during 
the compilation to actually get rid
of that limit. I will very much appreciate a hint for that trick.
Many thanks!

Best regards,
Evgeniy

-- 

Dr. Evgeniy Gromov
Theoretische Chemie
Physikalisch-Chemisches Institut
Im Neuenheimer Feld 229
D-69120 Heidelberg
Germany

Telefon: +49/(0)6221/545213
Fax: +49/(0)6221/545221
E-mail: evgeniy.gromov at pci.uni-heidelberg.de



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