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Re: [h5md-user] lammps h5md dump style


From: Peter Colberg
Subject: Re: [h5md-user] lammps h5md dump style
Date: Wed, 14 Jan 2015 17:12:31 -0500
User-agent: Mutt/1.5.21 (2010-09-15)

On Wed, Sep 03, 2014 at 12:42:53PM +0200, address@hidden wrote:
> This is just an announce for lammps users interested in H5MD (David?).
> 
> I have written a dump style (trajectory writer in lammps). It works similarly 
> to
> other dump style in lammps but obviously writes to a H5MD file :-)

This is great work!

Have you submitted the h5md style to upstream LAMMPS yet?

Further interesting packages for H5MD implementations might be NAMD,
HOOMD, and Espresso. That would cover a large fraction of molecular
simulation users and motivate lots of contributions to the H5MD
format.

Peter



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