QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: jjhskang on April 25, 2011, 14:42

Title: "new" Nanolanguage for "calculateProjectedHamiltonianEnergySpectrum()" ??
Post by: jjhskang on April 25, 2011, 14:42

I am trying to switch over to ATK 2011.02 from 2008.10.

For that, I want to know what is the "new" Nanolanguage for "calculateProjectedHamiltonianEnergySpectrum()" in ATK 2008.10 ?

I cannot find it.

Title: Re: "new" Nanolanguage for "calculateProjectedHamiltonianEnergySpectrum()" ??
Post by: jjhskang on April 25, 2011, 14:46

It's very difficult to find a new nanolanguage for ATK2011.02 corresponding to that in ATK 2008.10. Where can I find it? Does anyone know ?

Title: Re: "new" Nanolanguage for "calculateProjectedHamiltonianEnergySpectrum()" ??
Post by: Anders Blom on April 25, 2011, 17:35

It's called MolecularEnergySpectrum now.
See http://quantumwise.com/documents/manuals/latest/ReferenceManual/index.html/ref.molecularenergyspectrum.html