From: Jeff Comer (jeffcomer_at_gmail.com)
Date: Wed Jun 03 2015 - 11:54:28 CDT
Harmonic means:
F = –k(x–x0)
E = k(x-x0)^2/2
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Jeffrey Comer, PhD
Assistant Professor
Institute of Computational Comparative Medicine
Nanotechnology Innovation Center of Kansas State
Kansas State University
Office: P-213 Mosier Hall
Phone: 785-532-6311
On Wed, Jun 3, 2015 at 10:15 AM, Jérôme Hénin <jerome.henin_at_ibpc.fr> wrote:
> Hi Nicolas,
>
>> but the force printed in the output seems to be only the difference
>> between the chi1 and the reference
>> multiplied by the force constant. So this potential is not harmonic but
>> linear.
>
>
> Nope, that is precisely what you'd expect from a harmonic potential.
>
> Best,
> Jerome
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