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"new" Nanolanguage for "calculateProjectedHamiltonianEnergySpectrum()" ??
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Topic: "new" Nanolanguage for "calculateProjectedHamiltonianEnergySpectrum()" ?? (Read 4032 times)
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jjhskang
Heavy QuantumATK user
Posts: 54
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"new" Nanolanguage for "calculateProjectedHamiltonianEnergySpectrum()" ??
«
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.
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jjhskang
Heavy QuantumATK user
Posts: 54
Reputation: 0
Re: "new" Nanolanguage for "calculateProjectedHamiltonianEnergySpectrum()" ??
«
Reply #1 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 ?
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Anders Blom
QuantumATK Staff
Supreme QuantumATK Wizard
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Re: "new" Nanolanguage for "calculateProjectedHamiltonianEnergySpectrum()" ??
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Reply #2 on:
April 25, 2011, 17:35 »
It's called MolecularEnergySpectrum now.
See
http://quantumwise.com/documents/manuals/latest/ReferenceManual/index.html/ref.molecularenergyspectrum.html
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"new" Nanolanguage for "calculateProjectedHamiltonianEnergySpectrum()" ??