HDF5 dump - update

Dear lammps developers,

Some time ago I announced a dump style for HDF5-based files (more precisely H5MD
http://nongnu.org/h5md/ ).

It is now a bit more usable. I attach the files here but recommend to visit the
git development branch at https://github.com/pdebuyl/lammps/tree/start_dump_h5md

I can store in a modular way the position, image, velocity, species, mass or
force of a group. Several groups can also be stored in a single file. The dump
style relies on a single node collecting the data. A parallel version could be
developed, though.

To get a feeling of how (hint: easy thanks to h5py) one can access the data, I
have written a blog post on using H5MD from lammps
but the archive (and git repo) include the proper doc/dump_h5md.{txt,html}

If there is interest to include it in lammps, let me know.



Missing attachment.

dump_h5md.tgz (11.4 KB)