[molpro-user] Meaning of "uncompress" option

[Alexander Mitrushchenkov]

Hi,

Uncompress option affects how the AO two-electron integrals are stored 
on the disk. By default, less bits are used for very small integrals 
thus saving disk space. If uncompress is used, the integrals are always 
stored as real*8 values. Clearly, this option has no effect when 
integrals are not stored, i.e. for integral-direct calculations.

-Sasha

Le 29/05/2017 à 11:26, Evgeniy Gromov a écrit :
> Hello,
>
> I wonder what option "nocompress" in the molpro input means?
> It seems to be not documented in the manual.
> Thanks!
>
> Best regards,
> Evgeniy
>

-- 
Dr. Alexander Mitrushchenkov, IGR
Laboratoire de Modélisation et Simulation Multi Echelle
UMR 8208 CNRS
Université Paris-Est Marne-la-Vallée
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77454 Marne la Vallée, Cedex 2, France

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