Lorenzo Tinacci

icon location Florence icon location A Chemist who switches to the dark side of the force: Ph.D. in Astrophysics. Now R&D Data Scientist. Passion for any kind of knowledge and sports.

Results 3 comments of Lorenzo Tinacci

Gaussian / xtb interface that provides Hessians

I'm try to test the xtb (6.3.2) interface with gaussian. The input *.EIn from external guassian it is read well from xtb but the *.EOu external gaussian output (as it...

Gaussian / xtb interface that provides Hessians

It was hidden in the directory! Everything works now. Thansk for the hint and the great job you did on interfacing the hessian in the guassian external format!

GFN-FF scalability

sorry for the mistake, yes I was referring to GFN-FF