[molpro-user] casscf error

Andy May MayAJ1 at cardiff.ac.uk
Mon Feb 11 12:50:40 GMT 2013


Eldar,

I managed to reproduce this with the same version of Molpro as yourself 
(2010.1.25). This problem was fixed some time ago and does not occur 
with 2010.1.26 or the 'nightly' version of 2010.1, so you need to update 
your installation.

Best wishes,

Andy

On 05/02/13 09:23, Эльдар Мамин wrote:
> Developers and users of MOLPRO,
>
> I have error in my first CASSCF run.
> Please help.
>
> Many thanks,
> Eldar
>
>
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