[h5md-user] lammps h5md dump style

[pdebuyl]

Hi all,

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 :-)

If anyone is using lammps, I welcome feedback. There are a few limits:
1. The number of atoms per snapshot cannot change with the h5md style.
2. The position data is stored wrapped (box boundaries not enforced, see note 
above).
3. It is not possible yet to store several groups in a single H5MD file. 

It produces proper H5MD 1.0 files! I wrote in a a git branch at
https://github.com/pdebuyl/lammps/tree/start_dump_h5md

Cheers,

Pierre

-- 
-----------------------------------------------------------
Pierre de Buyl
KU Leuven - Polymer Chemistry and Materials
T +32 16 327355
W http://pdebuyl.be/
-----------------------------------------------------------