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Re: [lammps-users] Problem with TACF results
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Re: [lammps-users] Problem with TACF results


From: Steve Plimpton <sjplimp@...24...>
Date: Fri, 30 Jun 2017 09:12:40 -0600

No one has implemented a "compute" for this ACF that
has been contributed to LAMMPS.

Steve

On Tue, Jun 27, 2017 at 7:30 AM, GODEY, François <francois.godey@...1382...412...> wrote:
Hi,

I would like to know if someone has already tried to calculate the TACF (torsional autocorrelation function) for PE?
Have there been any computational problems?
Do you have the same results like Boyd?

Thank you

François

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