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Re: Inaccuracy in the manual

Thomas Pijper
thomaspijper@hotmail.com


Dear Evgeniy,

Thank you for your feedback. Indeed, OPTTOL is with respect to the type of coordinates in which the calculation is performed.


Kind regards,
Thom


On Tue Feb 28 '17 4:32pm, GrEv wrote
------------------------------------
>Hello,

>There seems to be a small inaccuracy/uncertainty in the manual for the description of the OPTTOL option. I was wondering if it always refers to the Cartesian gradient. It looks like it refers to the gradient with respect to coordinates used for geometry optimization. Maybe this should be noted in the manual.

>Regards,
>Evgeniy


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