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                                            chburger

XTB@GPU

could you tell how you solved the meson problem?

Can I use more than 1 GPU?

Thx alot for your prompt reply! Looking very much forward to your accomplishments.

Turbomole: scf_damping not working

Thanks so much for your prompt reply! This seems only to set the start value. Can I also set the min value? $scfdamp start=5.500 step=0.05 min=0.10 I guess, I have...

TS-OPT: EF number of steps before hessian recalculcalation

Thanks for the prompt reply. I had seen the EigenvectorFollowing.h file, but could not quite believe that the Hessian is really calculated in each step with no way to adapt...