recompute hessian every n steps in -trans

[jbaltrus]

Is there a way in -trans optimization calculate hessian every n steps without stopping and starting the program manually? That would be really beneficial for some transition state searches

Jonas

[Arnim]

Hi Jonas,

this can be done in the define menu 'stp'.
With hsfrq you can trigger a Hessian calculation every nth step.

All the best,
Arnim