On 2013-04-27 19:18, Andrew DeYoung wrote:
Hi,
I am interested in including polarizability using a Drude harmonic
oscillator ("charge on a spring"). In section 3.5 of the version 4.5.4
manual, "Shell molecular dynamics" is described briefly. It seems that the
shell model is quite similar, if n
Hi,
I am interested in including polarizability using a Drude harmonic
oscillator ("charge on a spring"). In section 3.5 of the version 4.5.4
manual, "Shell molecular dynamics" is described briefly. It seems that the
shell model is quite similar, if not identical, to the Drude oscillator.
Howev
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