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Re: Punching Hessian during geometry optimization

Alex Granovsky
gran@classic.chem.msu.su


Hello,

There is no such option presently but I can consider to add it
if needed.

Note, for ISC and CoIn location jobs, the best way to restart is
to use idump/irest options in $statpt group.

Best regards,
Alex Granovsky



On Mon Oct 31 '16 6:50pm, GrEv wrote
------------------------------------
>Hello,

>I wonder if it is possible to punch an approximate Hessian every N-th step during optimization?

>Best regards,
>Evegniy

[ This message was edited on Mon Oct 31 '16 at 11:07pm by the author ]


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