QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: sergio on August 16, 2016, 17:43

Title: non-adiabatic molecular dynamics
Post by: sergio on August 16, 2016, 17:43

Hi,

I would like to know the possibility of performing non-adiabatic molecular dynamics calculations.

Thanks for your reply,

Title: Re: non-adiabatic molecular dynamics
Post by: Ulrik G. Vej-Hansen on August 16, 2016, 19:42

No, that is unfortunately not implemented. You are welcome to make a feature request in the "Future Releases" section of the forum.