Implementation of SCF gradients in Properties

[lbabetto]

Hi guys,

I'm currently working with a computational pipeline that involves the calculation of SCF gradients. This is not usually calculated or printed by default by any of the currently implemented programs as far as I know, for example in Orca you need to request EnGrad as a runtype to get these gradients printed out, as even during geometry optimization these specific gradients are probably calculated but not printed out.

Do you think it could be something worth implementing in Properties or is it too much of a one-off to warrant support for possibly also other software that might allow this kind of calculation?

Are you aware of other situations in which gradients might be useful?