[molpro-user] The Ignore_Error option on the orbital directive

Andy May MayAJ1 at cardiff.ac.uk
Fri Sep 23 21:53:21 BST 2011


Yuri,

Thanks. This has been clarified in the documentation and the change will 
appear in the next patch to 2010.1.

Best wishes,

Andy

On 16/08/11 14:26, Yuri Alexandre Aoto wrote:
> Dear molpro-users,
>
> I was with problems in a MCSCF calculation just after a HF calculations
> that doesn't converged, because the "... IGNORE_ERROR option on the
> ORBITAL directive" didn't work at all. I found some mails in this list
> with the same problem and I think I resolved it. The messages in the
> program error and in the manual are wrong. IGNORE_ERROR must be given as
> a option of START directive, not of ORBITAL directive. This worked for
> me at molpro 2009 and 2010. Someone can check this?
>
> I hope this can be useful,
> Yuri Aoto
>
> _______________________________________________
> Molpro-user mailing list
> Molpro-user at molpro.net
> http://www.molpro.net/mailman/listinfo/molpro-user



More information about the Molpro-user mailing list