[lammps-users] FW: lammps-users Digest, Vol 53, Issue 4



That feature is available in Pizza.py. See density_2d.py in the scripts folder.

Jeff


> Date: Fri, 1 Oct 2010 07:45:04 -0600
> From: Steve Plimpton <[email protected]>
> Subject: Re: [lammps-users] Two dimensional density profile
> To: Ateeque Malani <[email protected]…24…>
> Cc: [email protected]
> Message-ID:
> <AANLkTi=f0LQxqcAVD=Ah1kDDG2mdPQidwUgOqdQQ+[email protected]…25…>
> Content-Type: text/plain; charset=ISO-8859-1
>
> there is no 2d fix ave/spatial command yet. Someone
> would have to write it. You can always dump info to
> a dump file and post-process it, binning it however you
> wish.
>
> Steve
>
> On Thu, Sep 30, 2010 at 1:30 PM, Ateeque Malani <[email protected]…24…> wrote:
> > Hi All,
> >
> > I am a new user of LAMMPS. I would like to compute a two dimensional density
> > profile of liquid water in a 3 dimensional surface. I know there is fix
> > ave/spatial command which can calculate density profile in 1 dimension.
> > However, is there any other command which can calculate a 2D density profile
> > by providing the bin size/number of bins.
> >
> > Regards
> > Ateeque

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