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non-adiabatic molecular dynamics
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Topic: non-adiabatic molecular dynamics (Read 2746 times)
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sergio
Heavy QuantumATK user
Posts: 56
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non-adiabatic molecular dynamics
«
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,
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Ulrik G. Vej-Hansen
QuantumATK Staff
Supreme QuantumATK Wizard
Posts: 426
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Re: non-adiabatic molecular dynamics
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Reply #1 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.
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non-adiabatic molecular dynamics