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[lammps-users] ?????? Can lammps do the correlation function for peratom property
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[lammps-users] ?????? Can lammps do the correlation function for peratom property


From: "1185201182" <1185201182@...1204...>
Date: Sat, 16 Dec 2017 07:21:46 +0800

Hi Steve
Is there command for auto-correlation of the per atom's force?

Fan Li


------------------ ???????? ------------------
??????: "Steve Plimpton";<sjplimp@...24...>;
????????: 2017??12??16??(??????) ????0:31
??????: ""<1185201182@...1204...>;
????: "lammps-users"<lammps-users@lists.sourceforge.net>;
????: Re: [lammps-users] Can lammps do the correlation function for peratom property

The fix ave/correlate command does not work with per-atom properties.
There are computes that do, like compute vacf, for velocity auto-correlation.

Steve


On Fri, Dec 15, 2017 at 4:51 AM, 1185201182 <1185201182@...1204...> wrote:
Hi Lammps users
I read the manual of the fix ave/correlate command it seems that it can only do the correlation functions for global properties. Can it calculate correlation function for the per atom properties like per atom force or velocity,or is there other way in lammps calculating it?


Fan Li

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